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 – 15 of 1,302 results

7-Methoxy-1-indanone, 95%

CAS: 34985-41-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD06659666 InChI Key: CZXBVBATQPHSSL-UHFFFAOYSA-N PubChem CID: 288143 IUPAC Name: 7-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=CC2=C1C(=O)CC2

Pricing and Availability
Specifications

PubChem CID	288143
CAS	34985-41-6
Molecular Weight (g/mol)	162.188
MDL Number	MFCD06659666
SMILES	COC1=CC=CC2=C1C(=O)CC2
IUPAC Name	7-methoxy-2,3-dihydroinden-1-one
InChI Key	CZXBVBATQPHSSL-UHFFFAOYSA-N
Molecular Formula	C10H10O2

2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 95%

CAS: 104206-65-7 Molecular Formula: C14H10F3NO5 Molecular Weight (g/mol): 329.231 MDL Number: MFCD01752192 InChI Key: OUBCNLGXQFSTLU-UHFFFAOYSA-N Synonym: nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona PubChem CID: 115355 ChEBI: CHEBI:50378 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	115355
CAS	104206-65-7
Molecular Weight (g/mol)	329.231
ChEBI	CHEBI:50378
MDL Number	MFCD01752192
SMILES	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Synonym	nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona
IUPAC Name	2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChI Key	OUBCNLGXQFSTLU-UHFFFAOYSA-N
Molecular Formula	C14H10F3NO5

1-Methylisatin, 98%

CAS: 2058-74-4 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005812 InChI Key: VCYBVWFTGAZHGH-UHFFFAOYSA-N Synonym: n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione PubChem CID: 16358 IUPAC Name: 1-methylindole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC=CC=C12

Pricing and Availability
Specifications

PubChem CID	16358
CAS	2058-74-4
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005812
SMILES	CN1C(=O)C(=O)C2=CC=CC=C12
Synonym	n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione
IUPAC Name	1-methylindole-2,3-dione
InChI Key	VCYBVWFTGAZHGH-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

4-Methoxyphenacyl chloride, 97%

CAS: 2196-99-8 Molecular Formula: C₉H₉ClO₂ Molecular Weight (g/mol): 184.62 MDL Number: MFCD00216508 InChI Key: MCRINSAETDOKDE-UHFFFAOYSA-N Synonym: 2-chloro-1-4-methoxyphenyl ethanone,4-methoxyphenacyl chloride,2-chloro-4'-methoxyacetophenone,2-chloro-4'-methoxylphacetone,4-methoxyphenacylchloride,2-chloro-1-4-methoxy-phenyl-ethanone,2-chloro-1-4-methoxyphenyl ethan-1-one,ethanone, 2-chloro-1-4-methoxyphenyl,4-chloroacetyl anisole,4'-methoxy-2-chloroacetophenone PubChem CID: 237806 IUPAC Name: 2-chloro-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CCl

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Specifications

PubChem CID	237806
CAS	2196-99-8
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00216508
SMILES	COC1=CC=C(C=C1)C(=O)CCl
Synonym	2-chloro-1-4-methoxyphenyl ethanone,4-methoxyphenacyl chloride,2-chloro-4'-methoxyacetophenone,2-chloro-4'-methoxylphacetone,4-methoxyphenacylchloride,2-chloro-1-4-methoxy-phenyl-ethanone,2-chloro-1-4-methoxyphenyl ethan-1-one,ethanone, 2-chloro-1-4-methoxyphenyl,4-chloroacetyl anisole,4'-methoxy-2-chloroacetophenone
IUPAC Name	2-chloro-1-(4-methoxyphenyl)ethanone
InChI Key	MCRINSAETDOKDE-UHFFFAOYSA-N
Molecular Formula	C₉H₉ClO₂

6-Methoxy-1-indanone, 99%, Thermo Scientific Chemicals

CAS: 13623-25-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00021232 InChI Key: UJGDLLGKMWVCPT-UHFFFAOYSA-N Synonym: 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon PubChem CID: 334036 IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=C2CCC(=O)C2=C1

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Specifications

PubChem CID	334036
CAS	13623-25-1
Molecular Weight (g/mol)	162.19
MDL Number	MFCD00021232
SMILES	COC1=CC=C2CCC(=O)C2=C1
Synonym	6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon
IUPAC Name	6-methoxy-2,3-dihydroinden-1-one
InChI Key	UJGDLLGKMWVCPT-UHFFFAOYSA-N
Molecular Formula	C10H10O2

alpha-Bromo-2'-acetonaphthone, 98%

CAS: 613-54-7 MDL Number: MFCD00004109 InChI Key: YHXHHGDUANVQHE-UHFFFAOYSA-N Synonym: 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone PubChem CID: 69179 IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr

Pricing and Availability
Specifications

PubChem CID	69179
CAS	613-54-7
MDL Number	MFCD00004109
SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
Synonym	2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone
IUPAC Name	2-bromo-1-naphthalen-2-ylethanone
InChI Key	YHXHHGDUANVQHE-UHFFFAOYSA-N

1,3-Dichloroacetone, typically 99%, Thermo Scientific Chemicals

CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl

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Specifications

PubChem CID	10793
CAS	534-07-6
Molecular Weight (g/mol)	126.96
MDL Number	MFCD00000937
SMILES	ClCC(=O)CCl
Synonym	1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone
IUPAC Name	1,3-dichloropropan-2-one
InChI Key	SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula	C3H4Cl2O

6-Bromoisatin, 95%

CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione PubChem CID: 95716 SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1

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Specifications

PubChem CID	95716
CAS	6326-79-0
Molecular Weight (g/mol)	226.03
MDL Number	MFCD01631138
SMILES	BrC1=CC=C2C(NC(=O)C2=O)=C1
Synonym	6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione
InChI Key	HVPQMLZLINVIHW-UHFFFAOYSA-N
Molecular Formula	C8H4BrNO2

2',4'-Dihydroxypropiophenone, 99%

CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O

Pricing and Availability
Specifications

PubChem CID	79856
CAS	5792-36-9
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00002280
SMILES	CCC(=O)C1=C(C=C(C=C1)O)O
Synonym	2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone
IUPAC Name	1-(2,4-dihydroxyphenyl)propan-1-one
InChI Key	LLBBBYLDTDJMNU-UHFFFAOYSA-N
Molecular Formula	C9H10O3

4-Hydroxy-3-methyl-2-butanone, tech 85%

CAS: 3393-64-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004739 InChI Key: VVSRECWZBBJOTG-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methyl-2-butanone,2-butanone, 4-hydroxy-3-methyl,3-hydroxymethyl-2-butanone,2-butanone, 4-hydroxy-3-methyl-, +,acmc-1cngd,3-methyl-4-hydroxy-2-butanone,vvsrecwzbbjotg-uhfffaoysa,2-butanone,4-hydroxy-3-methyl,4-hydroxy-3-methyl-2-butanone, technical grade PubChem CID: 18829 IUPAC Name: 4-hydroxy-3-methylbutan-2-one SMILES: CC(CO)C(=O)C

Pricing and Availability
Specifications

PubChem CID	18829
CAS	3393-64-4
Molecular Weight (g/mol)	102.133
MDL Number	MFCD00004739
SMILES	CC(CO)C(=O)C
Synonym	4-hydroxy-3-methyl-2-butanone,2-butanone, 4-hydroxy-3-methyl,3-hydroxymethyl-2-butanone,2-butanone, 4-hydroxy-3-methyl-, +,acmc-1cngd,3-methyl-4-hydroxy-2-butanone,vvsrecwzbbjotg-uhfffaoysa,2-butanone,4-hydroxy-3-methyl,4-hydroxy-3-methyl-2-butanone, technical grade
IUPAC Name	4-hydroxy-3-methylbutan-2-one
InChI Key	VVSRECWZBBJOTG-UHFFFAOYSA-N
Molecular Formula	C5H10O2

L-Kynurenine

CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O

Pricing and Availability
Specifications

PubChem CID	161166
CAS	2922-83-0
Molecular Weight (g/mol)	208.22
ChEBI	CHEBI:16946
MDL Number	MFCD00069912
SMILES	N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
Synonym	l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid
IUPAC Name	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
InChI Key	YGPSJZOEDVAXAB-QMMMGPOBSA-N
Molecular Formula	C10H12N2O3

4'-Acetamidoacetophenone, 98%

CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C

Pricing and Availability
Specifications

PubChem CID	75937
CAS	2719-21-3
Molecular Weight (g/mol)	177.203
MDL Number	MFCD00014965
SMILES	CC(=O)C1=CC=C(C=C1)NC(=O)C
Synonym	4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone
IUPAC Name	N-(4-acetylphenyl)acetamide
InChI Key	WECHHDJTILFYQT-UHFFFAOYSA-N
Molecular Formula	C10H11NO2

3',5'-Dihydroxyacetophenone, 96%

CAS: 51863-60-6 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002290 InChI Key: WQXWIKCZNIGMAP-UHFFFAOYSA-N Synonym: 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone PubChem CID: 103993 IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)O)O

Pricing and Availability
Specifications

PubChem CID	103993
CAS	51863-60-6
Molecular Weight (g/mol)	152.149
MDL Number	MFCD00002290
SMILES	CC(=O)C1=CC(=CC(=C1)O)O
Synonym	3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone
IUPAC Name	1-(3,5-dihydroxyphenyl)ethanone
InChI Key	WQXWIKCZNIGMAP-UHFFFAOYSA-N
Molecular Formula	C8H8O3

2-Bromo-4'-methylacetophenone, 98%

CAS: 619-41-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000203 InChI Key: KRVGXFREOJHJAX-UHFFFAOYSA-N Synonym: 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide PubChem CID: 69272 IUPAC Name: 2-bromo-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)CBr

Pricing and Availability
Specifications

PubChem CID	69272
CAS	619-41-0
Molecular Weight (g/mol)	213.074
MDL Number	MFCD00000203
SMILES	CC1=CC=C(C=C1)C(=O)CBr
Synonym	2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide
IUPAC Name	2-bromo-1-(4-methylphenyl)ethanone
InChI Key	KRVGXFREOJHJAX-UHFFFAOYSA-N
Molecular Formula	C9H9BrO

2-Amino-4'-bromoacetophenone hydrochloride, 98%

CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl

Pricing and Availability
Specifications

PubChem CID	2798216
CAS	5467-72-1
Molecular Weight (g/mol)	250.52
MDL Number	MFCD00051998
SMILES	C1=CC(=CC=C1C(=O)CN)Br.Cl
Synonym	4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl
IUPAC Name	2-amino-1-(4-bromophenyl)ethanone;hydrochloride
InChI Key	ROAVTVXTYFSQEA-UHFFFAOYSA-N
Molecular Formula	C8H9BrClNO

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