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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (218)
Imidazoles (131)
Pyrazoles (98)
Isoxazoles (95)
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1 – 15 of 316 results
1

2-Methyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 35272-15-2 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD03407332 InChI Key: ZHDRDZMTEOIWSX-UHFFFAOYSA-N Synonym: 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid PubChem CID: 284728 IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid SMILES: CC1=NC(=CS1)C(=O)O

PubChem CID 284728
CAS 35272-15-2
Molecular Weight (g/mol) 143.16
MDL Number MFCD03407332
SMILES CC1=NC(=CS1)C(=O)O
Synonym 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid
IUPAC Name 2-methyl-1,3-thiazole-4-carboxylic acid
InChI Key ZHDRDZMTEOIWSX-UHFFFAOYSA-N
Molecular Formula C5H5NO2S
3

Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 32043-95-1 Molecular Formula: C13H13NO2S Molecular Weight (g/mol): 247.31 MDL Number: MFCD07346320 InChI Key: UHLMXNFHHFDVPW-UHFFFAOYSA-N Synonym: ethyl 2-methyl-4-phenylthiazole-5-carboxylate,2-methyl-4-phenylthiazole-5-carboxylic acid ethyl ester,2-methyl-4-phenyl-thiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylicacid, 2-methyl-4-phenyl-, ethyl ester PubChem CID: 7131013 IUPAC Name: ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=C(N=C(C)S1)C1=CC=CC=C1

PubChem CID 7131013
CAS 32043-95-1
Molecular Weight (g/mol) 247.31
MDL Number MFCD07346320
SMILES CCOC(=O)C1=C(N=C(C)S1)C1=CC=CC=C1
Synonym ethyl 2-methyl-4-phenylthiazole-5-carboxylate,2-methyl-4-phenylthiazole-5-carboxylic acid ethyl ester,2-methyl-4-phenyl-thiazole-5-carboxylic acid ethyl ester,5-thiazolecarboxylicacid, 2-methyl-4-phenyl-, ethyl ester
IUPAC Name ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
InChI Key UHLMXNFHHFDVPW-UHFFFAOYSA-N
Molecular Formula C13H13NO2S
4

3,5-Dimethylisoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O

PubChem CID 75636
CAS 2510-36-3
Molecular Weight (g/mol) 141.126
SMILES CC1=C(C(=NO1)C)C(=O)O
Synonym 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555
IUPAC Name 3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI Key IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
5

7-Methylbenzo[d]isoxazol-3-ol, 97%, Thermo Scientific™

CAS: 36238-83-2 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00104669 InChI Key: JUNCQBPTXAQOSA-UHFFFAOYSA-N Synonym: 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one PubChem CID: 2782122 IUPAC Name: 7-methyl-1,2-benzoxazol-3-one SMILES: CC1=CC=CC2=C1ONC2=O

PubChem CID 2782122
CAS 36238-83-2
Molecular Weight (g/mol) 149.149
MDL Number MFCD00104669
SMILES CC1=CC=CC2=C1ONC2=O
Synonym 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one
IUPAC Name 7-methyl-1,2-benzoxazol-3-one
InChI Key JUNCQBPTXAQOSA-UHFFFAOYSA-N
Molecular Formula C8H7NO2
6

3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 28077-41-0 Molecular Formula: C11H9NO2S Molecular Weight (g/mol): 219.258 MDL Number: MFCD02682065 InChI Key: YDPHSMPSNLAMJE-UHFFFAOYSA-N Synonym: 3-2-methyl-1,3-thiazol-4-yl benzoic acid,3-2-methylthiazol-4-yl benzoic acid,benzoic acid,3-2-methyl-4-thiazolyl,3-2-methyl thiazol-4-yl benzoic acid PubChem CID: 2776495 IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)benzoic acid SMILES: CC1=NC(=CS1)C2=CC(=CC=C2)C(=O)O

PubChem CID 2776495
CAS 28077-41-0
Molecular Weight (g/mol) 219.258
MDL Number MFCD02682065
SMILES CC1=NC(=CS1)C2=CC(=CC=C2)C(=O)O
Synonym 3-2-methyl-1,3-thiazol-4-yl benzoic acid,3-2-methylthiazol-4-yl benzoic acid,benzoic acid,3-2-methyl-4-thiazolyl,3-2-methyl thiazol-4-yl benzoic acid
IUPAC Name 3-(2-methyl-1,3-thiazol-4-yl)benzoic acid
InChI Key YDPHSMPSNLAMJE-UHFFFAOYSA-N
Molecular Formula C11H9NO2S
7

2-(4-pyridyl)-1,3-thiazole-4-carboxylic acid, Thermo Scientific™

CAS: 21278-86-4 Molecular Formula: C9H5N2O2S Molecular Weight (g/mol): 205.21 MDL Number: MFCD00171745 InChI Key: COOQMBOJAAZEIR-UHFFFAOYSA-M Synonym: 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole PubChem CID: 716091 IUPAC Name: 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid SMILES: [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1

PubChem CID 716091
CAS 21278-86-4
Molecular Weight (g/mol) 205.21
MDL Number MFCD00171745
SMILES [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1
Synonym 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole
IUPAC Name 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
InChI Key COOQMBOJAAZEIR-UHFFFAOYSA-M
Molecular Formula C9H5N2O2S
8

Ethyl 2-morpholino-1,3-thiazole-4-carboxylate, 97%, Thermo Scientific™

CAS: 126533-95-7 Molecular Formula: C10H14N2O3S Molecular Weight (g/mol): 242.293 MDL Number: MFCD09702412 InChI Key: OINWWRRVBHJAKO-UHFFFAOYSA-N Synonym: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester PubChem CID: 15053544 IUPAC Name: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)N2CCOCC2

PubChem CID 15053544
CAS 126533-95-7
Molecular Weight (g/mol) 242.293
MDL Number MFCD09702412
SMILES CCOC(=O)C1=CSC(=N1)N2CCOCC2
Synonym ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester
IUPAC Name ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate
InChI Key OINWWRRVBHJAKO-UHFFFAOYSA-N
Molecular Formula C10H14N2O3S
9

(2-Methyl-1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™

CAS: 103694-26-4 Molecular Formula: C5H8N2S Molecular Weight (g/mol): 128.193 MDL Number: MFCD06212804 InChI Key: ZCKAEFOHSOQKHN-UHFFFAOYSA-N Synonym: 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine PubChem CID: 18467479 IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CN

PubChem CID 18467479
CAS 103694-26-4
Molecular Weight (g/mol) 128.193
MDL Number MFCD06212804
SMILES CC1=NC(=CS1)CN
Synonym 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine
IUPAC Name (2-methyl-1,3-thiazol-4-yl)methanamine
InChI Key ZCKAEFOHSOQKHN-UHFFFAOYSA-N
Molecular Formula C5H8N2S
10

1-phenyl-1H-imidazole-2-carbaldehyde, Thermo Scientific™

CAS: 6002-15-9 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 InChI Key: VJDRBJPZIHUDNE-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde PubChem CID: 6424701 IUPAC Name: 1-phenylimidazole-2-carbaldehyde SMILES: C1=CC=C(C=C1)N2C=CN=C2C=O

PubChem CID 6424701
CAS 6002-15-9
Molecular Weight (g/mol) 172.187
SMILES C1=CC=C(C=C1)N2C=CN=C2C=O
Synonym 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde
IUPAC Name 1-phenylimidazole-2-carbaldehyde
InChI Key VJDRBJPZIHUDNE-UHFFFAOYSA-N
Molecular Formula C10H8N2O
11

4-(1H-Benzimidazol-1-ylmethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 139742-50-0 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD02180372 InChI Key: KLIANJXCGMBICV-UHFFFAOYSA-N Synonym: 4-1h-benzimidazol-1-ylmethyl benzoic acid,4-1h-benzo d imidazol-1-yl methyl benzoic acid,4-1,3-benzodiazol-1-ylmethyl benzoic acid,4-1h-1,3-benzodiazol-1-ylmethyl benzoic acid,4-1h-1,3-benzodiazol-1-yl methyl benzoic acid,maybridge1_005258,acmc-20e4o9,4-benzimidazolylmethyl benzoic acid,4-benzimidazol-1-ylmethyl benzoic acid,4-1h-benzimidazole-1-ylmethyl benzoic acid PubChem CID: 2735444 IUPAC Name: 4-(benzimidazol-1-ylmethyl)benzoic acid SMILES: C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C(=O)O

PubChem CID 2735444
CAS 139742-50-0
Molecular Weight (g/mol) 252.273
MDL Number MFCD02180372
SMILES C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C(=O)O
Synonym 4-1h-benzimidazol-1-ylmethyl benzoic acid,4-1h-benzo d imidazol-1-yl methyl benzoic acid,4-1,3-benzodiazol-1-ylmethyl benzoic acid,4-1h-1,3-benzodiazol-1-ylmethyl benzoic acid,4-1h-1,3-benzodiazol-1-yl methyl benzoic acid,maybridge1_005258,acmc-20e4o9,4-benzimidazolylmethyl benzoic acid,4-benzimidazol-1-ylmethyl benzoic acid,4-1h-benzimidazole-1-ylmethyl benzoic acid
IUPAC Name 4-(benzimidazol-1-ylmethyl)benzoic acid
InChI Key KLIANJXCGMBICV-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
13

1,3-Dimethyl-1H-pyrazol-5-amine, 97%, Thermo Scientific™

CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C

PubChem CID 520721
CAS 3524-32-1
Molecular Weight (g/mol) 111.148
MDL Number MFCD00051651
SMILES CC1=NN(C(=C1)N)C
Synonym 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole
IUPAC Name 2,5-dimethylpyrazol-3-amine
InChI Key ZFDGMMZLXSFNFU-UHFFFAOYSA-N
Molecular Formula C5H9N3
14

Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate, 90%, Thermo Scientific™

CAS: 123770-62-7 Molecular Formula: C7H9NO4 Molecular Weight (g/mol): 171.152 MDL Number: MFCD08273501 InChI Key: ZWVVVEYXDQMHGQ-UHFFFAOYSA-N Synonym: ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate PubChem CID: 8027233 IUPAC Name: ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(=C1)CO

PubChem CID 8027233
CAS 123770-62-7
Molecular Weight (g/mol) 171.152
MDL Number MFCD08273501
SMILES CCOC(=O)C1=NOC(=C1)CO
Synonym ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate
IUPAC Name ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
InChI Key ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
Molecular Formula C7H9NO4
15

5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole, 97%, Thermo Scientific™

CAS: 1000339-73-0 Molecular Formula: C6H5BrF3NS Molecular Weight (g/mol): 260.07 MDL Number: MFCD09264554 InChI Key: OYDQGPCAYKWSAU-UHFFFAOYSA-N Synonym: 5-bromomethyl-2-methyl-4-trifluoromethyl-1,3-thiazole,5-bromomethyl-2-methyl-4-trifluoromethyl thiazole,5-bromomethyl-2-methyl-4-trifluoromethylthiazole,5-bromomethyl-2-methyl-4-trifluoromethyl-thiazole PubChem CID: 26597955 IUPAC Name: 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole SMILES: CC1=NC(=C(CBr)S1)C(F)(F)F

PubChem CID 26597955
CAS 1000339-73-0
Molecular Weight (g/mol) 260.07
MDL Number MFCD09264554
SMILES CC1=NC(=C(CBr)S1)C(F)(F)F
Synonym 5-bromomethyl-2-methyl-4-trifluoromethyl-1,3-thiazole,5-bromomethyl-2-methyl-4-trifluoromethyl thiazole,5-bromomethyl-2-methyl-4-trifluoromethylthiazole,5-bromomethyl-2-methyl-4-trifluoromethyl-thiazole
IUPAC Name 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
InChI Key OYDQGPCAYKWSAU-UHFFFAOYSA-N
Molecular Formula C6H5BrF3NS