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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2-Fluorophenacyl bromide, 98%

CAS: 655-15-2 Molecular Formula: C₈H₆BrFO Molecular Weight (g/mol): 217.04 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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PubChem CID	2737449
CAS	655-15-2
Molecular Weight (g/mol)	217.04
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

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2-Acetylfuran, 99%

CAS: 1192-62-7 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003242 InChI Key: IEMMBWWQXVXBEU-UHFFFAOYSA-N Synonym: 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl PubChem CID: 14505 ChEBI: CHEBI:59983 IUPAC Name: 1-(furan-2-yl)ethanone SMILES: CC(=O)C1=CC=CO1

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PubChem CID	14505
CAS	1192-62-7
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:59983
MDL Number	MFCD00003242
SMILES	CC(=O)C1=CC=CO1
Synonym	2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl
IUPAC Name	1-(furan-2-yl)ethanone
InChI Key	IEMMBWWQXVXBEU-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₂

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Pyruvic acid, 98%, extra pure

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

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PubChem CID	1060
CAS	127-17-3
Molecular Weight (g/mol)	88.06
ChEBI	CHEBI:32816
MDL Number	MFCD00002585
SMILES	CC(=O)C(O)=O
Synonym	pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure
IUPAC Name	2-oxopropanoic acid
InChI Key	LCTONWCANYUPML-UHFFFAOYSA-N
Molecular Formula	C3H4O3

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2,6-Dichloroindophenol sodium salt hydrate

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1

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PubChem CID	23697355
CAS	1266615-56-8
Molecular Weight (g/mol)	290.07
ChEBI	CHEBI:948
MDL Number	MFCD00150014
SMILES	[Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
Synonym	2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt
IUPAC Name	sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
InChI Key	FHLDWQLHDYCXKI-UHFFFAOYSA-M
Molecular Formula	C12H6Cl2NNaO2

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4'-Bromoacetophenone, 98%

CAS: 99-90-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000105 InChI Key: WYECURVXVYPVAT-UHFFFAOYSA-N Synonym: 4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo PubChem CID: 7466 IUPAC Name: 1-(4-bromophenyl)ethanone SMILES: CC(=O)C1=CC=C(Br)C=C1

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PubChem CID	7466
CAS	99-90-1
Molecular Weight (g/mol)	199.05
MDL Number	MFCD00000105
SMILES	CC(=O)C1=CC=C(Br)C=C1
Synonym	4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo
IUPAC Name	1-(4-bromophenyl)ethanone
InChI Key	WYECURVXVYPVAT-UHFFFAOYSA-N
Molecular Formula	C8H7BrO

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2,3-Butanedione, 99%

CAS: 431-03-8 Molecular Formula: C₄H₆O₂ Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C

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PubChem CID	650
CAS	431-03-8
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:16583
MDL Number	MFCD00008756
SMILES	CC(=O)C(=O)C
Synonym	2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane
IUPAC Name	butane-2,3-dione
InChI Key	QSJXEFYPDANLFS-UHFFFAOYSA-N
Molecular Formula	C₄H₆O₂

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2,3-Butanedione, 99%

CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C

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PubChem CID	650
CAS	431-03-8
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:16583
MDL Number	MFCD00008756
SMILES	CC(=O)C(=O)C
Synonym	2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane
IUPAC Name	butane-2,3-dione
InChI Key	QSJXEFYPDANLFS-UHFFFAOYSA-N
Molecular Formula	C4H6O2

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Acetophenone, 98%, pure

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	7410
CAS	98-86-2
ChEBI	CHEBI:27632
MDL Number	MFCD00008724
SMILES	CC(=O)C1=CC=CC=C1
Synonym	acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name	1-phenylethanone
InChI Key	KWOLFJPFCHCOCG-UHFFFAOYSA-N

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5-Methoxyisatin, 97%

CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 IUPAC Name: 5-methoxy-1H-indole-2,3-dione SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1

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Specifications

PubChem CID	38333
CAS	39755-95-8
Molecular Weight (g/mol)	177.16
MDL Number	MFCD00169023
SMILES	COC1=CC=C2NC(=O)C(=O)C2=C1
Synonym	5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci
IUPAC Name	5-methoxy-1H-indole-2,3-dione
InChI Key	DMHGXMPXHPOXBF-UHFFFAOYSA-N
Molecular Formula	C9H7NO3

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Fluoroacetone, 97%

CAS: 430-51-3 Molecular Formula: C₃H₅FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF

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PubChem CID	9889
CAS	430-51-3
Molecular Weight (g/mol)	76.06
MDL Number	MFCD00000451
SMILES	CC(=O)CF
Synonym	fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0
IUPAC Name	1-fluoropropan-2-one
InChI Key	MSWVMWGCNZQPIA-UHFFFAOYSA-N
Molecular Formula	C₃H₅FO

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

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Specifications

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

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4'-tert-Butylacetophenone, 98%, Thermo Scientific Chemicals

CAS: 943-27-1 Molecular Formula: C₁₂H₁₆O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017256 InChI Key: UYFJYGWNYQCHOB-UHFFFAOYSA-N Synonym: 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone PubChem CID: 13669 IUPAC Name: 1-(4-tert-butylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C

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Specifications

PubChem CID	13669
CAS	943-27-1
Molecular Weight (g/mol)	176.26
MDL Number	MFCD00017256
SMILES	CC(=O)C1=CC=C(C=C1)C(C)(C)C
Synonym	4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone
IUPAC Name	1-(4-tert-butylphenyl)ethanone
InChI Key	UYFJYGWNYQCHOB-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₆O

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Acetovanillone, 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

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1,3-Dichloroacetone, 96%

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

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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

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