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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.
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1

2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one, Tech., Thermo Scientific™

CAS: 383-53-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD00126489 InChI Key: HEMROKPXTCOASZ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone PubChem CID: 321979 IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)CBr

PubChem CID 321979
CAS 383-53-9
Molecular Weight (g/mol) 267.05
MDL Number MFCD00126489
SMILES FC(F)(F)C1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone
IUPAC Name 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
InChI Key HEMROKPXTCOASZ-UHFFFAOYSA-N
Molecular Formula C9H6BrF3O
2

5-Acetylthiophene-2-carbonitrile, 97%, Thermo Scientific™

CAS: 88653-55-8 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 InChI Key: VSHPLUBHIUFLES-UHFFFAOYSA-N Synonym: 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci PubChem CID: 2747565 IUPAC Name: 5-acetylthiophene-2-carbonitrile SMILES: CC(=O)C1=CC=C(S1)C#N

PubChem CID 2747565
CAS 88653-55-8
Molecular Weight (g/mol) 151.183
SMILES CC(=O)C1=CC=C(S1)C#N
Synonym 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci
IUPAC Name 5-acetylthiophene-2-carbonitrile
InChI Key VSHPLUBHIUFLES-UHFFFAOYSA-N
Molecular Formula C7H5NOS
3

2-Bromo-1-(2-thienyl)-1-ethanone, Technical Grade, Thermo Scientific™

CAS: 10531-41-6 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 InChI Key: UHWNENCHFSDZQP-UHFFFAOYSA-N Synonym: 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one PubChem CID: 2776372 IUPAC Name: 2-bromo-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)CBr

PubChem CID 2776372
CAS 10531-41-6
Molecular Weight (g/mol) 205.069
SMILES C1=CSC(=C1)C(=O)CBr
Synonym 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one
IUPAC Name 2-bromo-1-thiophen-2-ylethanone
InChI Key UHWNENCHFSDZQP-UHFFFAOYSA-N
Molecular Formula C6H5BrOS
4

2-Bromo-1-(3-thienyl)-1-ethanone, 97%, Thermo Scientific™

CAS: 1468-82-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.07 MDL Number: MFCD02677695 InChI Key: TXEJYUFJFSPCHH-UHFFFAOYSA-N PubChem CID: 2776379 SMILES: BrCC(=O)C1=CSC=C1

PubChem CID 2776379
CAS 1468-82-2
Molecular Weight (g/mol) 205.07
MDL Number MFCD02677695
SMILES BrCC(=O)C1=CSC=C1
InChI Key TXEJYUFJFSPCHH-UHFFFAOYSA-N
Molecular Formula C6H5BrOS
6

1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 10045-52-0 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.259 MDL Number: MFCD00068112 InChI Key: ZOOGZFPRAKXWKI-UHFFFAOYSA-N Synonym: 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole PubChem CID: 604819 IUPAC Name: 1-(2-phenyl-1,3-thiazol-4-yl)ethanone SMILES: CC(=O)C1=CSC(=N1)C2=CC=CC=C2

PubChem CID 604819
CAS 10045-52-0
Molecular Weight (g/mol) 203.259
MDL Number MFCD00068112
SMILES CC(=O)C1=CSC(=N1)C2=CC=CC=C2
Synonym 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole
IUPAC Name 1-(2-phenyl-1,3-thiazol-4-yl)ethanone
InChI Key ZOOGZFPRAKXWKI-UHFFFAOYSA-N
Molecular Formula C11H9NOS
8

5-Aminoindan-1-one, 97%, Thermo Scientific™

CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N

PubChem CID 312890
CAS 3470-54-0
Molecular Weight (g/mol) 147.177
SMILES C1CC(=O)C2=C1C=C(C=C2)N
Synonym 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one
IUPAC Name 5-amino-2,3-dihydroinden-1-one
InChI Key HODOSJNSRPXYBH-UHFFFAOYSA-N
Molecular Formula C9H9NO
9

1-(4-Amino-2-hydroxyphenyl)ethan-1-one, Tech., Thermo Scientific™

CAS: 2476-29-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00100636 InChI Key: QQZFVONVJPXCSQ-UHFFFAOYSA-N Synonym: 1-4-amino-2-hydroxyphenyl ethanone,1-4-amino-2-hydroxyphenyl ethan-1-one,4'-amino-2'-hydroxyacetophenone,1-4-amino-2-hydroxyphenyl ethane-1-one,ethanone, 1-4-amino-2-hydroxyphenyl,1-4-amino-2-hydroxy-phenyl ethanone,2-acetyl-5-aminophenol,intermediates-zcf02667,amino-2-hydroxyphenyl ethanone,4-acetyl-3-hydroxyaniline PubChem CID: 459296 IUPAC Name: 1-(4-amino-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(N)C=C1

PubChem CID 459296
CAS 2476-29-1
Molecular Weight (g/mol) 151.17
MDL Number MFCD00100636
SMILES CC(=O)C1=C(O)C=C(N)C=C1
Synonym 1-4-amino-2-hydroxyphenyl ethanone,1-4-amino-2-hydroxyphenyl ethan-1-one,4'-amino-2'-hydroxyacetophenone,1-4-amino-2-hydroxyphenyl ethane-1-one,ethanone, 1-4-amino-2-hydroxyphenyl,1-4-amino-2-hydroxy-phenyl ethanone,2-acetyl-5-aminophenol,intermediates-zcf02667,amino-2-hydroxyphenyl ethanone,4-acetyl-3-hydroxyaniline
IUPAC Name 1-(4-amino-2-hydroxyphenyl)ethanone
InChI Key QQZFVONVJPXCSQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
10

2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone, 97%, Thermo Scientific™

CAS: 258506-49-9 Molecular Formula: C11H7BrClNO2 Molecular Weight (g/mol): 300.536 MDL Number: MFCD00662759 InChI Key: OUHGJKFYGYXITB-UHFFFAOYSA-N Synonym: 2-bromo-1-3-4-chlorophenyl-5-isoxazolyl-1-ethanone,5-bromoacetyl-3-4-chlorophenyl isoxazole,2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethan-1-one,2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethanone,2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethanone,2-bromo-1-3-4-chlorophenyl-isoxazol-5-yl ethanone,2-bromo-1-3-4-chloro-phenyl-isoxazol-5-yl-ethanone,2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethan-1-one,pubchem8718 PubChem CID: 2799661 IUPAC Name: 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone SMILES: C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl

PubChem CID 2799661
CAS 258506-49-9
Molecular Weight (g/mol) 300.536
MDL Number MFCD00662759
SMILES C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl
Synonym 2-bromo-1-3-4-chlorophenyl-5-isoxazolyl-1-ethanone,5-bromoacetyl-3-4-chlorophenyl isoxazole,2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethan-1-one,2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethanone,2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethanone,2-bromo-1-3-4-chlorophenyl-isoxazol-5-yl ethanone,2-bromo-1-3-4-chloro-phenyl-isoxazol-5-yl-ethanone,2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethan-1-one,pubchem8718
IUPAC Name 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone
InChI Key OUHGJKFYGYXITB-UHFFFAOYSA-N
Molecular Formula C11H7BrClNO2
11

Ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate, Technical, Thermo Scientific™

CAS: 34966-52-4 Molecular Formula: C10H8Cl2O3 Molecular Weight (g/mol): 247.07 MDL Number: MFCD01934864 InChI Key: NWUGRKGSCYOUFF-UHFFFAOYSA-N Synonym: ethyl 3,4-dichlorophenylglyoxylate,ethyl 3,4-dichlorobenzoylformate,ethyl 2-3,4-dichlorophenyl-2-oxoacetate,3,4-dichlorophenyl glyoxylic acid ethyl ester,ksc495i0f,ethyl 3,4-dichlorophenyl oxo acetate,ethyl 2-3,4-dichlorophenyl-2-oxoethanoate,3,4-dichlorophenyl oxoacetic acid ethyl ester,3,4-dichloro-oxo-benzeneacetic acid ethyl ester,3,4-dichloro-phenyl-oxo-acetic acid ethyl ester PubChem CID: 2736412 IUPAC Name: ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC(Cl)=C(Cl)C=C1

PubChem CID 2736412
CAS 34966-52-4
Molecular Weight (g/mol) 247.07
MDL Number MFCD01934864
SMILES CCOC(=O)C(=O)C1=CC(Cl)=C(Cl)C=C1
Synonym ethyl 3,4-dichlorophenylglyoxylate,ethyl 3,4-dichlorobenzoylformate,ethyl 2-3,4-dichlorophenyl-2-oxoacetate,3,4-dichlorophenyl glyoxylic acid ethyl ester,ksc495i0f,ethyl 3,4-dichlorophenyl oxo acetate,ethyl 2-3,4-dichlorophenyl-2-oxoethanoate,3,4-dichlorophenyl oxoacetic acid ethyl ester,3,4-dichloro-oxo-benzeneacetic acid ethyl ester,3,4-dichloro-phenyl-oxo-acetic acid ethyl ester
IUPAC Name ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate
InChI Key NWUGRKGSCYOUFF-UHFFFAOYSA-N
Molecular Formula C10H8Cl2O3
13

1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone, ≥97%, Thermo Scientific™

CAS: 844891-02-7 Molecular Formula: C10H7BrO2 Molecular Weight (g/mol): 239.07 MDL Number: MFCD06658969 InChI Key: KRXJQVYCIGDILC-UHFFFAOYSA-N Synonym: 1-1-benzofuran-5-yl-2-bromo-1-ethanone,1-1-benzofuran-5-yl-2-bromoethan-1-one,1-1-benzofuran-5-yl-2-bromoethanone,1-benzofuran-5-yl-2-bromoethanone,5-2-bromoacetyl benzofuran,1-benzo b furan-5-yl-2-bromoethan-1-one,1-1-benzo b furan-5-yl-2-bromo-1-ethanone PubChem CID: 2795178 IUPAC Name: 1-(1-benzofuran-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2OC=CC2=C1

PubChem CID 2795178
CAS 844891-02-7
Molecular Weight (g/mol) 239.07
MDL Number MFCD06658969
SMILES BrCC(=O)C1=CC=C2OC=CC2=C1
Synonym 1-1-benzofuran-5-yl-2-bromo-1-ethanone,1-1-benzofuran-5-yl-2-bromoethan-1-one,1-1-benzofuran-5-yl-2-bromoethanone,1-benzofuran-5-yl-2-bromoethanone,5-2-bromoacetyl benzofuran,1-benzo b furan-5-yl-2-bromoethan-1-one,1-1-benzo b furan-5-yl-2-bromo-1-ethanone
IUPAC Name 1-(1-benzofuran-5-yl)-2-bromoethanone
InChI Key KRXJQVYCIGDILC-UHFFFAOYSA-N
Molecular Formula C10H7BrO2
14

(4-Methoxyphenyl)(4-piperidyl)methanone hydrochloride, 97%, Thermo Scientific™

CAS: 25519-82-8 Molecular Formula: C13H18ClNO2 Molecular Weight (g/mol): 255.742 MDL Number: MFCD00114817 InChI Key: BBDTWYQCXXFKDH-UHFFFAOYSA-N Synonym: 4-4-methoxybenzoyl piperidine hydrochloride,4-methoxyphenyl 4-piperidyl methanone hydrochloride,4-methoxyphenyl piperidin-4-yl methanone hydrochloride,methanone, 4-methoxyphenyl-4-piperidinyl-, hydrochloride,4-4-methoxybenzoyl piperidine hcl,4-4-methoxybenzoyl-piperidine hydrochloride,4-methoxy-phenyl-piperidin-4-yl-methanone hydrochloride,ksc801q4b,4-methoxyphenyl-4-piperidyl methanonehcl,4-methoxyphenyl 4-piperidyl ketone, chloride PubChem CID: 2740587 IUPAC Name: (4-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride SMILES: COC1=CC=C(C=C1)C(=O)C2CCNCC2.Cl

PubChem CID 2740587
CAS 25519-82-8
Molecular Weight (g/mol) 255.742
MDL Number MFCD00114817
SMILES COC1=CC=C(C=C1)C(=O)C2CCNCC2.Cl
Synonym 4-4-methoxybenzoyl piperidine hydrochloride,4-methoxyphenyl 4-piperidyl methanone hydrochloride,4-methoxyphenyl piperidin-4-yl methanone hydrochloride,methanone, 4-methoxyphenyl-4-piperidinyl-, hydrochloride,4-4-methoxybenzoyl piperidine hcl,4-4-methoxybenzoyl-piperidine hydrochloride,4-methoxy-phenyl-piperidin-4-yl-methanone hydrochloride,ksc801q4b,4-methoxyphenyl-4-piperidyl methanonehcl,4-methoxyphenyl 4-piperidyl ketone, chloride
IUPAC Name (4-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride
InChI Key BBDTWYQCXXFKDH-UHFFFAOYSA-N
Molecular Formula C13H18ClNO2
15

1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™

CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br

PubChem CID 24229756
CAS 937796-01-5
Molecular Weight (g/mol) 281.167
MDL Number MFCD09879973
SMILES CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
Synonym 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone
IUPAC Name 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone
InChI Key AMADTVLVNSCDKW-UHFFFAOYSA-N
Molecular Formula C12H9BrOS