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.

211 – 225 of 2,949 results

211

Ethyl 4-chloroacetoacetate, 98%

CAS: 638-07-3 Molecular Formula: C₆H₉ClO₃ Molecular Weight (g/mol): 164.59 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl

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Specifications

PubChem CID	69484
CAS	638-07-3
Molecular Weight (g/mol)	164.59
MDL Number	MFCD00000939
SMILES	CCOC(=O)CC(=O)CCl
Synonym	ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate
IUPAC Name	ethyl 4-chloro-3-oxobutanoate
InChI Key	OHLRLMWUFVDREV-UHFFFAOYSA-N
Molecular Formula	C₆H₉ClO₃

212

1-(2'-Fluoro[1,1'-biphenyl]-4-yl)propan-1-one, 97%, Thermo Scientific™

CAS: 37989-92-7 Molecular Formula: C15H13FO Molecular Weight (g/mol): 228.266 MDL Number: MFCD00236612 InChI Key: ZXIQZWXVSBJPTC-UHFFFAOYSA-N Synonym: 1-2'-fluoro-1,1'-biphenyl-4-yl propan-1-one,1-2'-fluoro 1,1'-biphenyl-4-yl propan-1-one,1-4-2-fluorophenyl phenyl propan-1-one,4'-2-fluorophenyl propiophenone,4-2-fluorophenyl propiophenone,1-propanone,1-2'-fluoro 1,1'-biphenyl-4-yl,maybridge3_006207,2-fluoro-4'-propanoylbiphenyl PubChem CID: 2737490 IUPAC Name: 1-[4-(2-fluorophenyl)phenyl]propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F

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Specifications

PubChem CID	2737490
CAS	37989-92-7
Molecular Weight (g/mol)	228.266
MDL Number	MFCD00236612
SMILES	CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F
Synonym	1-2'-fluoro-1,1'-biphenyl-4-yl propan-1-one,1-2'-fluoro 1,1'-biphenyl-4-yl propan-1-one,1-4-2-fluorophenyl phenyl propan-1-one,4'-2-fluorophenyl propiophenone,4-2-fluorophenyl propiophenone,1-propanone,1-2'-fluoro 1,1'-biphenyl-4-yl,maybridge3_006207,2-fluoro-4'-propanoylbiphenyl
IUPAC Name	1-[4-(2-fluorophenyl)phenyl]propan-1-one
InChI Key	ZXIQZWXVSBJPTC-UHFFFAOYSA-N
Molecular Formula	C15H13FO

213

2-Chloro-3',4'-dihydroxyacetophenone, 97%

CAS: 99-40-1 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00002200 InChI Key: LWTJEJCZJFZKEL-UHFFFAOYSA-N Synonym: 2-chloro-3',4'-dihydroxyacetophenone,2-chloro-1-3,4-dihydroxyphenyl ethanone,4-chloroacetyl catechol,3,4-dihydroxyphenacyl chloride,ethanone, 2-chloro-1-3,4-dihydroxyphenyl,unii-fn6949l56q,3',4'-dihydroxy-2-chloroacetophenone,chloromethyl 3,4-dihydroxyphenyl ketone,2-chloro-3,4-dihydroxyacetophenone,.alpha.-chloro-3,4-dihydroxyacetophenone PubChem CID: 66834 ChEBI: CHEBI:51844 IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)O)O

Pricing & Availability
Specifications

PubChem CID	66834
CAS	99-40-1
Molecular Weight (g/mol)	186.591
ChEBI	CHEBI:51844
MDL Number	MFCD00002200
SMILES	C1=CC(=C(C=C1C(=O)CCl)O)O
Synonym	2-chloro-3',4'-dihydroxyacetophenone,2-chloro-1-3,4-dihydroxyphenyl ethanone,4-chloroacetyl catechol,3,4-dihydroxyphenacyl chloride,ethanone, 2-chloro-1-3,4-dihydroxyphenyl,unii-fn6949l56q,3',4'-dihydroxy-2-chloroacetophenone,chloromethyl 3,4-dihydroxyphenyl ketone,2-chloro-3,4-dihydroxyacetophenone,.alpha.-chloro-3,4-dihydroxyacetophenone
IUPAC Name	2-chloro-1-(3,4-dihydroxyphenyl)ethanone
InChI Key	LWTJEJCZJFZKEL-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

214

7-Bromoisatin, 97%

CAS: 20780-74-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00774354 InChI Key: OCVKSIWBTJCXPV-UHFFFAOYSA-N Synonym: 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin PubChem CID: 2302353 IUPAC Name: 7-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O

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Specifications

PubChem CID	2302353
CAS	20780-74-9
Molecular Weight (g/mol)	226.029
MDL Number	MFCD00774354
SMILES	C1=CC2=C(C(=C1)Br)NC(=O)C2=O
Synonym	7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin
IUPAC Name	7-bromo-1H-indole-2,3-dione
InChI Key	OCVKSIWBTJCXPV-UHFFFAOYSA-N
Molecular Formula	C8H4BrNO2

215

5,7-Difluoro-1-indanone, 97%

CAS: 84315-25-3 Molecular Formula: C9H6F2O Molecular Weight (g/mol): 168.14 MDL Number: MFCD09908161 InChI Key: XWZGNWCKXLECBO-UHFFFAOYSA-N Synonym: 5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one PubChem CID: 11789595 IUPAC Name: 5,7-difluoro-2,3-dihydroinden-1-one SMILES: FC1=CC(F)=C2C(=O)CCC2=C1

Pricing & Availability
Specifications

PubChem CID	11789595
CAS	84315-25-3
Molecular Weight (g/mol)	168.14
MDL Number	MFCD09908161
SMILES	FC1=CC(F)=C2C(=O)CCC2=C1
Synonym	5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one
IUPAC Name	5,7-difluoro-2,3-dihydroinden-1-one
InChI Key	XWZGNWCKXLECBO-UHFFFAOYSA-N
Molecular Formula	C9H6F2O

216

4'-Benzyloxy-3'-methoxyacetophenone, 98%, Thermo Scientific Chemicals

CAS: 1835-11-6 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD00017326 InChI Key: HRUAWSQBQLYDKH-UHFFFAOYSA-N Synonym: 1-4-benzyloxy-3-methoxyphenyl ethanone,4'-benzyloxy-3'-methoxyacetophenone,4-benzyloxy-3-methoxyacetophenone,acetophenone, 4'-benzyloxy-3'-methoxy,1-3-methoxy-4-phenylmethoxy phenyl ethanone,1-4-benzyloxy-3-methoxyphenyl ethan-1-one,1-3-methoxy-4-phenylmethoxyphenyl ethanone,ethanone, 1-3-methoxy-4-phenylmethoxy phenyl PubChem CID: 99215 IUPAC Name: 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

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Specifications

PubChem CID	99215
CAS	1835-11-6
Molecular Weight (g/mol)	256.301
MDL Number	MFCD00017326
SMILES	CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
Synonym	1-4-benzyloxy-3-methoxyphenyl ethanone,4'-benzyloxy-3'-methoxyacetophenone,4-benzyloxy-3-methoxyacetophenone,acetophenone, 4'-benzyloxy-3'-methoxy,1-3-methoxy-4-phenylmethoxy phenyl ethanone,1-4-benzyloxy-3-methoxyphenyl ethan-1-one,1-3-methoxy-4-phenylmethoxyphenyl ethanone,ethanone, 1-3-methoxy-4-phenylmethoxy phenyl
IUPAC Name	1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
InChI Key	HRUAWSQBQLYDKH-UHFFFAOYSA-N
Molecular Formula	C16H16O3

217

4-Chlorobutyrophenone, 95%, Thermo Scientific™

CAS: 939-52-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00001005 InChI Key: GHEFQKHLHFXSBR-UHFFFAOYSA-N Synonym: 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone PubChem CID: 253533 IUPAC Name: 4-chloro-1-phenylbutan-1-one SMILES: ClCCCC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	253533
CAS	939-52-6
Molecular Weight (g/mol)	182.65
MDL Number	MFCD00001005
SMILES	ClCCCC(=O)C1=CC=CC=C1
Synonym	4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone
IUPAC Name	4-chloro-1-phenylbutan-1-one
InChI Key	GHEFQKHLHFXSBR-UHFFFAOYSA-N
Molecular Formula	C10H11ClO

218

2,2-Difluoroacetophenone, 95%

CAS: 395-01-7 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD06246879 InChI Key: OLYKCPDTXVZOQF-UHFFFAOYSA-N Synonym: 2,2-difluoroacetophenone,alpha,alpha-difluoroacetophenone,2,2-difluoro-1-phenyl-ethanone,2,2-difluoro-1-phenylethan-1-one,a,a-difluoroacetophenone,ethanone, 2,2-difluoro-1-phenyl,difluoromethyl phenyl ketone,difluoroacetophenone,acmc-20aojw,acetophenone, 2,2-difluoro PubChem CID: 273286 IUPAC Name: 2,2-difluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)F

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Specifications

PubChem CID	273286
CAS	395-01-7
Molecular Weight (g/mol)	156.132
MDL Number	MFCD06246879
SMILES	C1=CC=C(C=C1)C(=O)C(F)F
Synonym	2,2-difluoroacetophenone,alpha,alpha-difluoroacetophenone,2,2-difluoro-1-phenyl-ethanone,2,2-difluoro-1-phenylethan-1-one,a,a-difluoroacetophenone,ethanone, 2,2-difluoro-1-phenyl,difluoromethyl phenyl ketone,difluoroacetophenone,acmc-20aojw,acetophenone, 2,2-difluoro
IUPAC Name	2,2-difluoro-1-phenylethanone
InChI Key	OLYKCPDTXVZOQF-UHFFFAOYSA-N
Molecular Formula	C8H6F2O

219

3-Acetyl-5-bromopyridine, 97%

CAS: 38940-62-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.04 MDL Number: MFCD03086033 InChI Key: LDBPZEQZCOUYFT-UHFFFAOYSA-N Synonym: 3-acetyl-5-bromopyridine,1-5-bromopyridin-3-yl ethanone,1-5-bromopyridin-3-yl ethan-1-one,ethanone, 1-5-bromo-3-pyridinyl,3-bromo-5-acetylpyridine,1-5-bromo-3-pyridyl ethanone,5-acetyl-3-bromopyridine,1-5-bromo-3-pyridinyl ethanone,pubchem15626,acmc-1aglt PubChem CID: 820423 IUPAC Name: 1-(5-bromopyridin-3-yl)ethanone SMILES: CC(=O)C1=CC(Br)=CN=C1

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Specifications

PubChem CID	820423
CAS	38940-62-4
Molecular Weight (g/mol)	200.04
MDL Number	MFCD03086033
SMILES	CC(=O)C1=CC(Br)=CN=C1
Synonym	3-acetyl-5-bromopyridine,1-5-bromopyridin-3-yl ethanone,1-5-bromopyridin-3-yl ethan-1-one,ethanone, 1-5-bromo-3-pyridinyl,3-bromo-5-acetylpyridine,1-5-bromo-3-pyridyl ethanone,5-acetyl-3-bromopyridine,1-5-bromo-3-pyridinyl ethanone,pubchem15626,acmc-1aglt
IUPAC Name	1-(5-bromopyridin-3-yl)ethanone
InChI Key	LDBPZEQZCOUYFT-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO

220

4-Acetylpyridine, 98%

CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1

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Specifications

PubChem CID	14282
CAS	1122-54-9
Molecular Weight (g/mol)	121.139
MDL Number	MFCD00006433
SMILES	CC(=O)C1=CC=NC=C1
Synonym	4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7
IUPAC Name	1-pyridin-4-ylethanone
InChI Key	WMQUKDQWMMOHSA-UHFFFAOYSA-N
Molecular Formula	C7H7NO

221

2,2'-Thenil, 98+%

CAS: 7333-07-5 Molecular Formula: C₁₀H₆O₂S₂ Molecular Weight (g/mol): 222.29 MDL Number: MFCD00173678 InChI Key: UNWKVSDABPCZMK-UHFFFAOYSA-N Synonym: 2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl PubChem CID: 275005 IUPAC Name: 1,2-dithiophen-2-ylethane-1,2-dione SMILES: C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2

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Specifications

PubChem CID	275005
CAS	7333-07-5
Molecular Weight (g/mol)	222.29
MDL Number	MFCD00173678
SMILES	C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
Synonym	2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl
IUPAC Name	1,2-dithiophen-2-ylethane-1,2-dione
InChI Key	UNWKVSDABPCZMK-UHFFFAOYSA-N
Molecular Formula	C₁₀H₆O₂S₂

222

1,8-Dichloroanthraquinone, MP Biomedicals

CAS: 82-43-9 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.1 InChI Key: VBQNYYXVDQUKIU-UHFFFAOYSA-N Synonym: 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro PubChem CID: 6708 IUPAC Name: 1,8-dichloroanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl

Pricing & Availability
Specifications

PubChem CID	6708
CAS	82-43-9
Molecular Weight (g/mol)	277.1
SMILES	C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl
Synonym	1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro
IUPAC Name	1,8-dichloroanthracene-9,10-dione
InChI Key	VBQNYYXVDQUKIU-UHFFFAOYSA-N
Molecular Formula	C14H6Cl2O2

223

4'-Iodoacetophenone, 98%

CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.047 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

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Specifications

PubChem CID	72869
CAS	13329-40-3
Molecular Weight (g/mol)	246.047
MDL Number	MFCD00045320
SMILES	CC(=O)C1=CC=C(C=C1)I
Synonym	4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone
IUPAC Name	1-(4-iodophenyl)ethanone
InChI Key	JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular Formula	C8H7IO

224

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

CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1

Pricing & Availability
Specifications

PubChem CID	7060546
CAS	1131-87-9
Molecular Weight (g/mol)	255.13
MDL Number	MFCD07368508
SMILES	BrCC(=O)C1=CC=C2SC=CC2=C1
Synonym	1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one
IUPAC Name	1-(1-benzothiophen-5-yl)-2-bromoethanone
InChI Key	NTQPGUCRHJHYIA-UHFFFAOYSA-N
Molecular Formula	C10H7BrOS

225

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 & 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

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