Complex Ketones

226 – 240 of 2,855 results

226

9,10-Anthraquinone, 98+%, Thermo Scientific Chemicals

CAS: 84-65-1 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00001188 InChI Key: RZVHIXYEVGDQDX-UHFFFAOYSA-N Synonym: anthraquinone,9,10-anthraquinone,9,10-anthracenedione,anthradione,hoelite,9,10-dioxoanthracene,corbit,morkit,9,10-anthrachinon,anthra-9,10-quinone PubChem CID: 6780 ChEBI: CHEBI:40448 IUPAC Name: anthracene-9,10-dione SMILES: O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12

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Specifications

PubChem CID	6780
CAS	84-65-1
Molecular Weight (g/mol)	208.22
ChEBI	CHEBI:40448
MDL Number	MFCD00001188
SMILES	O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12
Synonym	anthraquinone,9,10-anthraquinone,9,10-anthracenedione,anthradione,hoelite,9,10-dioxoanthracene,corbit,morkit,9,10-anthrachinon,anthra-9,10-quinone
IUPAC Name	anthracene-9,10-dione
InChI Key	RZVHIXYEVGDQDX-UHFFFAOYSA-N
Molecular Formula	C14H8O2

227

3-Chlorobenzoylacetonitrile, 98%

CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N

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Specifications

PubChem CID	140855
CAS	21667-62-9
Molecular Weight (g/mol)	179.60
MDL Number	MFCD00067891
SMILES	ClC1=CC=CC(=C1)C(=O)CC#N
Synonym	3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670
IUPAC Name	3-(3-chlorophenyl)-3-oxopropanenitrile
InChI Key	IUDFNNHFARLIPF-UHFFFAOYSA-N
Molecular Formula	C9H6ClNO

228

3'-Nitroacetophenone, 98+%

CAS: 121-89-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00007259 InChI Key: ARKIFHPFTHVKDT-UHFFFAOYSA-N Synonym: 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon PubChem CID: 8494 IUPAC Name: 1-(3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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Specifications

PubChem CID	8494
CAS	121-89-1
Molecular Weight (g/mol)	165.148
MDL Number	MFCD00007259
SMILES	CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon
IUPAC Name	1-(3-nitrophenyl)ethanone
InChI Key	ARKIFHPFTHVKDT-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

229

2',4',6'-Trihydroxyacetophenone hydrate, 98+%

CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O

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Specifications

PubChem CID	68073
CAS	480-66-0
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:64344
MDL Number	MFCD00002287
SMILES	CC(=O)C1=C(O)C=C(O)C=C1O
Synonym	1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone
IUPAC Name	1-(2,4,6-trihydroxyphenyl)ethanone
InChI Key	XLEYFDVVXLMULC-UHFFFAOYSA-N
Molecular Formula	C8H8O4

230

4'-Hydroxy-3'-methoxyacetophenone, 98%

CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O

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Specifications

PubChem CID	2214
CAS	498-02-2
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:2781
MDL Number	MFCD00008747
SMILES	COC1=CC(=CC=C1O)C(C)=O
Synonym	acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon
IUPAC Name	1-(4-hydroxy-3-methoxyphenyl)ethanone
InChI Key	DFYRUELUNQRZTB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

231

m-Toluoylacetonitrile, 97%

CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N

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Specifications

PubChem CID	143105
CAS	53882-81-8
Molecular Weight (g/mol)	159.188
MDL Number	MFCD00067922
SMILES	CC1=CC=CC(=C1)C(=O)CC#N
Synonym	3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile
IUPAC Name	3-(3-methylphenyl)-3-oxopropanenitrile
InChI Key	IVLKDYOTZMFMLO-UHFFFAOYSA-N
Molecular Formula	C10H9NO

232

2-Acetylpyridine, 98%

CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006303 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1

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Specifications

PubChem CID	14286
CAS	1122-62-9
Molecular Weight (g/mol)	121.139
MDL Number	MFCD00006303
SMILES	CC(=O)C1=CC=CC=N1
Synonym	2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone
IUPAC Name	1-pyridin-2-ylethanone
InChI Key	AJKVQEKCUACUMD-UHFFFAOYSA-N
Molecular Formula	C7H7NO

233

2-Acetyl-5-chlorothiophene, 99%

CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl

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Specifications

PubChem CID	80572
CAS	6310-09-4
Molecular Weight (g/mol)	160.62
MDL Number	MFCD00005444
SMILES	CC(=O)C1=CC=C(S1)Cl
Synonym	2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene
IUPAC Name	1-(5-chlorothiophen-2-yl)ethanone
InChI Key	HTZGPEHWQCRXGZ-UHFFFAOYSA-N
Molecular Formula	C6H5ClOS

234

Octanophenone, 98%

CAS: 1674-37-9 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.31 MDL Number: MFCD00003554 InChI Key: UDEVCZRUNOLVLU-UHFFFAOYSA-N Synonym: octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq PubChem CID: 74291 IUPAC Name: 1-phenyloctan-1-one SMILES: CCCCCCCC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	74291
CAS	1674-37-9
Molecular Weight (g/mol)	204.31
MDL Number	MFCD00003554
SMILES	CCCCCCCC(=O)C1=CC=CC=C1
Synonym	octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq
IUPAC Name	1-phenyloctan-1-one
InChI Key	UDEVCZRUNOLVLU-UHFFFAOYSA-N
Molecular Formula	C14H20O

235

6-Benzoylhexanoic acid, 94%, Thermo Scientific Chemicals

CAS: 7472-43-7 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.27 MDL Number: MFCD00039608 InChI Key: DOQWHEUDAHLEPT-UHFFFAOYSA-N Synonym: 6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo PubChem CID: 344830 IUPAC Name: 7-oxo-7-phenylheptanoic acid SMILES: OC(=O)CCCCCC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	344830
CAS	7472-43-7
Molecular Weight (g/mol)	220.27
MDL Number	MFCD00039608
SMILES	OC(=O)CCCCCC(=O)C1=CC=CC=C1
Synonym	6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo
IUPAC Name	7-oxo-7-phenylheptanoic acid
InChI Key	DOQWHEUDAHLEPT-UHFFFAOYSA-N
Molecular Formula	C13H16O3

236

Methyl 4-acetylbenzoate, 99%

CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	137990
CAS	3609-53-8
Molecular Weight (g/mol)	178.187
MDL Number	MFCD00216474
SMILES	CC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym	benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b
IUPAC Name	methyl 4-acetylbenzoate
InChI Key	QNTSFZXGLAHYLC-UHFFFAOYSA-N
Molecular Formula	C10H10O3

237

2-Bromo-2'-fluoroacetophenone, 98%

CAS: 655-15-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00278796 InChI Key: QDNWNJSLWKHNTM-UHFFFAOYSA-N Synonym: 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone PubChem CID: 2737449 IUPAC Name: 2-bromo-1-(2-fluorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)F

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Specifications

PubChem CID	2737449
CAS	655-15-2
Molecular Weight (g/mol)	217.037
MDL Number	MFCD00278796
SMILES	C1=CC=C(C(=C1)C(=O)CBr)F
Synonym	2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone
IUPAC Name	2-bromo-1-(2-fluorophenyl)ethanone
InChI Key	QDNWNJSLWKHNTM-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO

238

2,6-Diacetylpyridine, 99%

CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O

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Specifications

PubChem CID	70790
CAS	1129-30-2
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00006304
SMILES	CC(=O)C1=CC=CC(=N1)C(C)=O
Synonym	2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144
IUPAC Name	1-(6-acetylpyridin-2-yl)ethanone
InChI Key	BEZVGIHGZPLGBL-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

239

9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

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Specifications

PubChem CID	23661981
CAS	153277-35-1
Molecular Weight (g/mol)	310.255
MDL Number	MFCD00149068
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
Synonym	sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate
IUPAC Name	sodium;9,10-dioxoanthracene-2-sulfonate
InChI Key	GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula	C14H7NaO5S

240

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 & 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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