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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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special interests

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1
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trans-2-(4-Bromobenzoyl)-1-cyclohexanecarboxylic acid, 98%, Thermo Scientific™

CAS: 212757-09-0 Molecular Formula: C14H15O3Br Molecular Weight (g/mol): 311.17 MDL Number: MFCD00800528 InChI Key: OVZXXISOLDHARA-VXGBXAGGSA-N Synonym: 1r,2r-2-4-bromobenzoyl cyclohexane-1-carboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid,trans-2-4-bromobenzoyl cyclohexanecarboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid, 98,1r,2r-2-4-bromophenyl carbonyl cyclohexanecarboxylic acid,1r,2r-2-4-bromobenzoyl cyclohexanecarboxylic acid,cyclohexanecarboxylicacid, 2-4-bromobenzoyl-, 1r,2r-rel PubChem CID: 2725095 IUPAC Name: (1R,2R)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acid SMILES: C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O

PubChem CID 2725095
CAS 212757-09-0
Molecular Weight (g/mol) 311.17
MDL Number MFCD00800528
SMILES C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O
Synonym 1r,2r-2-4-bromobenzoyl cyclohexane-1-carboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid,trans-2-4-bromobenzoyl cyclohexanecarboxylic acid,trans-2-4-bromobenzoyl-1-cyclohexane-carboxylic acid, 98,1r,2r-2-4-bromophenyl carbonyl cyclohexanecarboxylic acid,1r,2r-2-4-bromobenzoyl cyclohexanecarboxylic acid,cyclohexanecarboxylicacid, 2-4-bromobenzoyl-, 1r,2r-rel
IUPAC Name (1R,2R)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acid
InChI Key OVZXXISOLDHARA-VXGBXAGGSA-N
Molecular Formula C14H15O3Br
2
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1-Chloroanthraquinone, 98%, Thermo Scientific™

CAS: 82-44-0 MDL Number: MFCD00001189 InChI Key: BOCJQSFSGAZAPQ-UHFFFAOYSA-N Synonym: 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v PubChem CID: 6709 IUPAC Name: 1-chloroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl

PubChem CID 6709
CAS 82-44-0
MDL Number MFCD00001189
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl
Synonym 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v
IUPAC Name 1-chloroanthracene-9,10-dione
InChI Key BOCJQSFSGAZAPQ-UHFFFAOYSA-N
3

Thermo Scientific Chemicals D-Sorbose, 98%

CAS: 3615-56-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00151095 InChI Key: LKDRXBCSQODPBY-IANNHFEVSA-N Synonym: d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose PubChem CID: 107428 ChEBI: CHEBI:13022 SMILES: OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O

PubChem CID 107428
CAS 3615-56-3
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:13022
MDL Number MFCD00151095
SMILES OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
Synonym d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose
InChI Key LKDRXBCSQODPBY-IANNHFEVSA-N
Molecular Formula C6H12O6
4
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3',4'-Dimethoxyacetophenone, 98+%

CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC

PubChem CID 14328
CAS 1131-62-0
Molecular Weight (g/mol) 180.203
ChEBI CHEBI:86576
MDL Number MFCD00008737
SMILES CC(=O)C1=CC(=C(C=C1)OC)OC
Synonym 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy
IUPAC Name 1-(3,4-dimethoxyphenyl)ethanone
InChI Key IQZLUWLMQNGTIW-UHFFFAOYSA-N
Molecular Formula C10H12O3
5
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2'-Acetoxyacetophenone, 98%

CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O

PubChem CID 16716
CAS 7250-94-4
Molecular Weight (g/mol) 178.19
MDL Number MFCD00017223
SMILES CC(=O)OC1=CC=CC=C1C(C)=O
Synonym 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci
IUPAC Name (2-acetylphenyl) acetate
InChI Key WWEDAIJJBDFOOK-UHFFFAOYSA-N
Molecular Formula C10H10O3
6
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2'-Bromoacetophenone, 98+%

CAS: 2142-69-0 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000067 InChI Key: PIMNFNXBTGPCIL-UHFFFAOYSA-N Synonym: 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone PubChem CID: 75060 IUPAC Name: 1-(2-bromophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Br

PubChem CID 75060
CAS 2142-69-0
Molecular Weight (g/mol) 199.05
MDL Number MFCD00000067
SMILES CC(=O)C1=CC=CC=C1Br
Synonym 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone
IUPAC Name 1-(2-bromophenyl)ethanone
InChI Key PIMNFNXBTGPCIL-UHFFFAOYSA-N
Molecular Formula C8H7BrO
7
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4,7-Dichloroisatin, 98%

CAS: 18711-13-2 Molecular Formula: C8H3Cl2NO2 Molecular Weight (g/mol): 216.017 MDL Number: MFCD00047214 InChI Key: NUXYYWOWNFEMNH-UHFFFAOYSA-N Synonym: 4,7-dichloroisatin,4,7-dichloroindoline-2,3-dione,4,7-dichloro isatin,4,7-dichloro-isatin,4,7-dichloro-2,3-dihydro-1h-indole-2,3-dione,1h-indole-2,3-dione, 4,7-dichloro,4,7-dichloroisatin;,4,7-dichloroisatine;,d0ek7h,isatin-based compound, 51 PubChem CID: 2734793 IUPAC Name: 4,7-dichloro-1H-indole-2,3-dione SMILES: C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl

PubChem CID 2734793
CAS 18711-13-2
Molecular Weight (g/mol) 216.017
MDL Number MFCD00047214
SMILES C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
Synonym 4,7-dichloroisatin,4,7-dichloroindoline-2,3-dione,4,7-dichloro isatin,4,7-dichloro-isatin,4,7-dichloro-2,3-dihydro-1h-indole-2,3-dione,1h-indole-2,3-dione, 4,7-dichloro,4,7-dichloroisatin;,4,7-dichloroisatine;,d0ek7h,isatin-based compound, 51
IUPAC Name 4,7-dichloro-1H-indole-2,3-dione
InChI Key NUXYYWOWNFEMNH-UHFFFAOYSA-N
Molecular Formula C8H3Cl2NO2
8
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5-Chloroisatin, 98%

CAS: 17630-76-1 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.58 MDL Number: MFCD00014567 InChI Key: XHDJYQWGFIBCEP-UHFFFAOYSA-N Synonym: 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607 PubChem CID: 87203 SMILES: ClC1=CC=C2NC(=O)C(=O)C2=C1

PubChem CID 87203
CAS 17630-76-1
Molecular Weight (g/mol) 181.58
MDL Number MFCD00014567
SMILES ClC1=CC=C2NC(=O)C(=O)C2=C1
Synonym 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607
InChI Key XHDJYQWGFIBCEP-UHFFFAOYSA-N
Molecular Formula C8H4ClNO2
9
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1,4-Diphenyl-1-butanone, 98%

CAS: 5407-91-0 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00022005 InChI Key: GBUMEGLMTNAXOM-UHFFFAOYSA-N PubChem CID: 79413 IUPAC Name: 1,4-diphenylbutan-1-one SMILES: C1=CC=C(C=C1)CCCC(=O)C2=CC=CC=C2

PubChem CID 79413
CAS 5407-91-0
Molecular Weight (g/mol) 224.303
MDL Number MFCD00022005
SMILES C1=CC=C(C=C1)CCCC(=O)C2=CC=CC=C2
IUPAC Name 1,4-diphenylbutan-1-one
InChI Key GBUMEGLMTNAXOM-UHFFFAOYSA-N
Molecular Formula C16H16O
10
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4-(4-Methylpiperazino)acetophenone, 98%, Thermo Scientific™

CAS: 26586-55-0 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD00023297 InChI Key: IRIZGAMYKHTLKS-UHFFFAOYSA-N Synonym: 1-4-4-methylpiperazino phenyl-1-ethanone,1-4-4-methylpiperazin-1-yl phenyl ethanone,p-4-methylpiperazino-acetophenone,acetophenone, 4'-4-methyl-1-piperazinyl,1-4-4-methylpiperazin-1-yl phenyl ethan-1-one,ethanone, 1-4-4-methyl-1-piperazinyl phenyl,ethanone,1-4-4-methyl-1-piperazinyl phenyl PubChem CID: 33551 IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C

PubChem CID 33551
CAS 26586-55-0
Molecular Weight (g/mol) 218.3
MDL Number MFCD00023297
SMILES CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C
Synonym 1-4-4-methylpiperazino phenyl-1-ethanone,1-4-4-methylpiperazin-1-yl phenyl ethanone,p-4-methylpiperazino-acetophenone,acetophenone, 4'-4-methyl-1-piperazinyl,1-4-4-methylpiperazin-1-yl phenyl ethan-1-one,ethanone, 1-4-4-methyl-1-piperazinyl phenyl,ethanone,1-4-4-methyl-1-piperazinyl phenyl
IUPAC Name 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
InChI Key IRIZGAMYKHTLKS-UHFFFAOYSA-N
Molecular Formula C13H18N2O
11
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3-Acetylindole, 98%

CAS: 703-80-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00005626 InChI Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N Synonym: 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one PubChem CID: 12802 IUPAC Name: 1-(1H-indol-3-yl)ethanone SMILES: CC(=O)C1=CNC2=CC=CC=C21

PubChem CID 12802
CAS 703-80-0
Molecular Weight (g/mol) 159.188
MDL Number MFCD00005626
SMILES CC(=O)C1=CNC2=CC=CC=C21
Synonym 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one
IUPAC Name 1-(1H-indol-3-yl)ethanone
InChI Key VUIMBZIZZFSQEE-UHFFFAOYSA-N
Molecular Formula C10H9NO
12
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1-Phenylisatin, 98%

CAS: 723-89-7 Molecular Formula: C14H9NO2 Molecular Weight (g/mol): 223.231 MDL Number: MFCD00082681 InChI Key: UWCPWBIMRYXUOU-UHFFFAOYSA-N Synonym: 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin PubChem CID: 12884 IUPAC Name: 1-phenylindole-2,3-dione SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O

PubChem CID 12884
CAS 723-89-7
Molecular Weight (g/mol) 223.231
MDL Number MFCD00082681
SMILES C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O
Synonym 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin
IUPAC Name 1-phenylindole-2,3-dione
InChI Key UWCPWBIMRYXUOU-UHFFFAOYSA-N
Molecular Formula C14H9NO2
13

Ethyl Trifluoropyruvate 98.0+%, TCI America™

CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F

PubChem CID 2737239
CAS 13081-18-0
Molecular Weight (g/mol) 170.09
MDL Number MFCD00114935
SMILES CCOC(=O)C(=O)C(F)(F)F
Synonym ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013
IUPAC Name ethyl 3,3,3-trifluoro-2-oxopropanoate
InChI Key KJHQVUNUOIEYSV-UHFFFAOYSA-N
Molecular Formula C5H5F3O3
14
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2,2'-Dichlorobenzil, 98+%

CAS: 21854-95-5 Molecular Formula: C14H8Cl2O2 Molecular Weight (g/mol): 279.116 MDL Number: MFCD00018263 InChI Key: VOSNNSVWVJFJCR-UHFFFAOYSA-N Synonym: 2,2'-dichlorobenzil,1,2-bis 2-chlorophenyl ethane-1,2-dione,ethanedione, bis 2-chlorophenyl,2,2'-dichlorodibenzoyl,benzil, 2,2'-dichloro,1,2-ethanedione, 1,2-bis 2-chlorophenyl,bis 2-chlorophenyl ethane-1,2-dione,benzil,2'-dichloro,2,2/'-dichlorobenzil,acmc-20aok0 PubChem CID: 89076 IUPAC Name: 1,2-bis(2-chlorophenyl)ethane-1,2-dione SMILES: C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl

PubChem CID 89076
CAS 21854-95-5
Molecular Weight (g/mol) 279.116
MDL Number MFCD00018263
SMILES C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
Synonym 2,2'-dichlorobenzil,1,2-bis 2-chlorophenyl ethane-1,2-dione,ethanedione, bis 2-chlorophenyl,2,2'-dichlorodibenzoyl,benzil, 2,2'-dichloro,1,2-ethanedione, 1,2-bis 2-chlorophenyl,bis 2-chlorophenyl ethane-1,2-dione,benzil,2'-dichloro,2,2/'-dichlorobenzil,acmc-20aok0
IUPAC Name 1,2-bis(2-chlorophenyl)ethane-1,2-dione
InChI Key VOSNNSVWVJFJCR-UHFFFAOYSA-N
Molecular Formula C14H8Cl2O2
15
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4'-Fluoro-3'-methoxyacetophenone, 98%

CAS: 64287-19-0 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00272135 InChI Key: PFEGFUCYOHBDJF-UHFFFAOYSA-N Synonym: 1-4-fluoro-3-methoxyphenyl ethanone,4'-fluoro-3'-methoxyacetophenone,4-fluoro-3-methoxyacetophenone,ethanone, 1-4-fluoro-3-methoxyphenyl,1-4-fluoro-3-methoxyphenyl ethan-1-one,1-4-fluoro-3-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-3-methoxybenzene,pubchem4234,ksc621a4h,attercop-chm at126609 PubChem CID: 2774532 IUPAC Name: 1-(4-fluoro-3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)OC

PubChem CID 2774532
CAS 64287-19-0
Molecular Weight (g/mol) 168.167
MDL Number MFCD00272135
SMILES CC(=O)C1=CC(=C(C=C1)F)OC
Synonym 1-4-fluoro-3-methoxyphenyl ethanone,4'-fluoro-3'-methoxyacetophenone,4-fluoro-3-methoxyacetophenone,ethanone, 1-4-fluoro-3-methoxyphenyl,1-4-fluoro-3-methoxyphenyl ethan-1-one,1-4-fluoro-3-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-3-methoxybenzene,pubchem4234,ksc621a4h,attercop-chm at126609
IUPAC Name 1-(4-fluoro-3-methoxyphenyl)ethanone
InChI Key PFEGFUCYOHBDJF-UHFFFAOYSA-N
Molecular Formula C9H9FO2