Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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11,116 – 11,130 of 79,319 results

11,116

4,6-Diaminoresorcinol Dihydrochloride 98.0+%, TCI America™

CAS: 16523-31-2 Molecular Formula: C6H10Cl2N2O2 Molecular Weight (g/mol): 213.058 MDL Number: MFCD00143239 InChI Key: KUMOYHHELWKOCB-UHFFFAOYSA-N Synonym: 4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d PubChem CID: 2733648 IUPAC Name: 4,6-diaminobenzene-1,3-diol;dihydrochloride SMILES: C1=C(C(=CC(=C1N)O)O)N.Cl.Cl

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Specifications

PubChem CID	2733648
CAS	16523-31-2
Molecular Weight (g/mol)	213.058
MDL Number	MFCD00143239
SMILES	C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
Synonym	4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d
IUPAC Name	4,6-diaminobenzene-1,3-diol;dihydrochloride
InChI Key	KUMOYHHELWKOCB-UHFFFAOYSA-N
Molecular Formula	C6H10Cl2N2O2

11,117

3-Bromocatechol 98.0+%, TCI America™

CAS: 14381-51-2 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD00869768 InChI Key: JPBDMIWPTFDFEU-UHFFFAOYSA-N Synonym: 3-bromocatechol,3-bromopyrocatechol,1-bromo-2,3-dihydroxybenzene,1,2-benzenediol, 3-bromo,benzenediol, bromo,3-bromo-1,2-benzenediol,2,3-dihydroxy-bromobenzene,bromocatechol,3-bromoatechol,pubchem19085 PubChem CID: 26659 IUPAC Name: 3-bromobenzene-1,2-diol SMILES: C1=CC(=C(C(=C1)Br)O)O

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Specifications

PubChem CID	26659
CAS	14381-51-2
Molecular Weight (g/mol)	189.008
MDL Number	MFCD00869768
SMILES	C1=CC(=C(C(=C1)Br)O)O
Synonym	3-bromocatechol,3-bromopyrocatechol,1-bromo-2,3-dihydroxybenzene,1,2-benzenediol, 3-bromo,benzenediol, bromo,3-bromo-1,2-benzenediol,2,3-dihydroxy-bromobenzene,bromocatechol,3-bromoatechol,pubchem19085
IUPAC Name	3-bromobenzene-1,2-diol
InChI Key	JPBDMIWPTFDFEU-UHFFFAOYSA-N
Molecular Formula	C6H5BrO2

11,118

Tiron Monohydrate 98.0+%, TCI America™

CAS: 149-45-1 Molecular Formula: C6H10Na2O8S2 Molecular Weight (g/mol): 320.238 MDL Number: MFCD00007473 InChI Key: HEOKHLCODUWALT-UHFFFAOYSA-N Synonym: tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt PubChem CID: 131674010 IUPAC Name: 4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium SMILES: [HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na]

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Specifications

PubChem CID	131674010
CAS	149-45-1
Molecular Weight (g/mol)	320.238
MDL Number	MFCD00007473
SMILES	[HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na]
Synonym	tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
IUPAC Name	4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium
InChI Key	HEOKHLCODUWALT-UHFFFAOYSA-N
Molecular Formula	C6H10Na2O8S2

11,119

Methyl Caffeate 98.0+%, TCI America™

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

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Specifications

PubChem CID	689075
CAS	3843-74-1
Molecular Weight (g/mol)	194.186
ChEBI	CHEBI:6856
MDL Number	MFCD00210468
SMILES	COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym	methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name	methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key	OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula	C10H10O4

11,120

DL-Adrenaline 98.0+%, TCI America™

CAS: 329-65-7 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00063027 InChI Key: UCTWMZQNUQWSLP-UHFFFAOYSA-N Synonym: dl-adrenaline,racepinephrine,racepinefrine,dl-epinephrine,+--adrenaline,epinephrine racemic,racepinefrina,racepinefrinum,+--epinephrine,4-1-hydroxy-2-methylamino ethyl benzene-1,2-diol PubChem CID: 838 ChEBI: CHEBI:33568 IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol SMILES: CNCC(C1=CC(=C(C=C1)O)O)O

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Specifications

PubChem CID	838
CAS	329-65-7
Molecular Weight (g/mol)	183.207
ChEBI	CHEBI:33568
MDL Number	MFCD00063027
SMILES	CNCC(C1=CC(=C(C=C1)O)O)O
Synonym	dl-adrenaline,racepinephrine,racepinefrine,dl-epinephrine,+--adrenaline,epinephrine racemic,racepinefrina,racepinefrinum,+--epinephrine,4-1-hydroxy-2-methylamino ethyl benzene-1,2-diol
IUPAC Name	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
InChI Key	UCTWMZQNUQWSLP-UHFFFAOYSA-N
Molecular Formula	C9H13NO3

11,121

4-Allylpyrocatechol 98.0+%, TCI America™

CAS: 1126-61-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD01548379 InChI Key: FHEHIXJLCWUPCZ-UHFFFAOYSA-N Synonym: 4-Allyl-1,2-benzenediol, 4-Allyl-1,2-dihydroxybenzene, 4-Allylcatechol, Hydroxychavicol PubChem CID: 70775 IUPAC Name: 4-prop-2-enylbenzene-1,2-diol SMILES: C=CCC1=CC(=C(C=C1)O)O

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Specifications

PubChem CID	70775
CAS	1126-61-0
Molecular Weight (g/mol)	150.177
MDL Number	MFCD01548379
SMILES	C=CCC1=CC(=C(C=C1)O)O
Synonym	4-Allyl-1,2-benzenediol, 4-Allyl-1,2-dihydroxybenzene, 4-Allylcatechol, Hydroxychavicol
IUPAC Name	4-prop-2-enylbenzene-1,2-diol
InChI Key	FHEHIXJLCWUPCZ-UHFFFAOYSA-N
Molecular Formula	C9H10O2

11,122

2,5-Dihydroxybenzoic Acid 99.0+%, TCI America™

CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O

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Specifications

PubChem CID	3469
CAS	490-79-9
Molecular Weight (g/mol)	154.121
ChEBI	CHEBI:17189
MDL Number	MFCD00002460
SMILES	C1=CC(=C(C=C1O)C(=O)O)O
Synonym	gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid
IUPAC Name	2,5-dihydroxybenzoic acid
InChI Key	WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula	C7H6O4

11,123

3-Fluorocatechol 98.0+%, TCI America™

CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O

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Specifications

PubChem CID	67764
CAS	363-52-0
Molecular Weight (g/mol)	128.10
ChEBI	CHEBI:39876
MDL Number	MFCD00042582
SMILES	OC1=CC=CC(F)=C1O
Synonym	3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142
IUPAC Name	3-fluorobenzene-1,2-diol
InChI Key	DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular Formula	C6H5FO2

11,124

3,4-Dihydroxybenzyl Alcohol 96.0+%, TCI America™

CAS: 3897-89-0 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00210409 InChI Key: PCYGLFXKCBFGPC-UHFFFAOYSA-N Synonym: 4-Hydroxymethylpyrocatechol, alpha,3,4-Trihydroxytoluene PubChem CID: 100733 ChEBI: CHEBI:20412 IUPAC Name: 4-(hydroxymethyl)benzene-1,2-diol SMILES: OCC1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	100733
CAS	3897-89-0
Molecular Weight (g/mol)	140.14
ChEBI	CHEBI:20412
MDL Number	MFCD00210409
SMILES	OCC1=CC=C(O)C(O)=C1
Synonym	4-Hydroxymethylpyrocatechol, alpha,3,4-Trihydroxytoluene
IUPAC Name	4-(hydroxymethyl)benzene-1,2-diol
InChI Key	PCYGLFXKCBFGPC-UHFFFAOYSA-N
Molecular Formula	C7H8O3

11,125

5-Bromoresorcinol 98.0+%, TCI America™

CAS: 106120-04-1 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD16293393 InChI Key: HYHHGFFTWSYNMV-UHFFFAOYSA-N Synonym: 1-Bromo-3,5-dihydroxybenzene PubChem CID: 557383 IUPAC Name: 5-bromobenzene-1,3-diol SMILES: C1=C(C=C(C=C1O)Br)O

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Specifications

PubChem CID	557383
CAS	106120-04-1
Molecular Weight (g/mol)	189.008
MDL Number	MFCD16293393
SMILES	C1=C(C=C(C=C1O)Br)O
Synonym	1-Bromo-3,5-dihydroxybenzene
IUPAC Name	5-bromobenzene-1,3-diol
InChI Key	HYHHGFFTWSYNMV-UHFFFAOYSA-N
Molecular Formula	C6H5BrO2

11,126

3,4-Dihydroxybenzonitrile 98.0+%, TCI America™

CAS: 17345-61-8 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00016436 InChI Key: NUWHYWYSMAPBHK-UHFFFAOYSA-N Synonym: protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile PubChem CID: 87065 IUPAC Name: 3,4-dihydroxybenzonitrile SMILES: C1=CC(=C(C=C1C#N)O)O

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Specifications

PubChem CID	87065
CAS	17345-61-8
Molecular Weight (g/mol)	135.122
MDL Number	MFCD00016436
SMILES	C1=CC(=C(C=C1C#N)O)O
Synonym	protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile
IUPAC Name	3,4-dihydroxybenzonitrile
InChI Key	NUWHYWYSMAPBHK-UHFFFAOYSA-N
Molecular Formula	C7H5NO2

11,127

Bis[4-(2-hydroxyethoxy)phenyl] Sulfone 97.0+%, TCI America™

CAS: 27205-03-4 Molecular Formula: C16H18O6S Molecular Weight (g/mol): 338.374 MDL Number: MFCD00130282 InChI Key: UTNSTOOXQPHXJQ-UHFFFAOYSA-N Synonym: 4-(2-Hydroxyethoxy)phenyl Sulfone PubChem CID: 95071 IUPAC Name: 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO

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Specifications

PubChem CID	95071
CAS	27205-03-4
Molecular Weight (g/mol)	338.374
MDL Number	MFCD00130282
SMILES	C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO
Synonym	4-(2-Hydroxyethoxy)phenyl Sulfone
IUPAC Name	2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol
InChI Key	UTNSTOOXQPHXJQ-UHFFFAOYSA-N
Molecular Formula	C16H18O6S

11,128

4,4'-Dichlorodiphenyl Sulfone 98.0+%, TCI America™

CAS: 80-07-9 Molecular Formula: C12H8Cl2O2S Molecular Weight (g/mol): 287.15 MDL Number: MFCD00000619 InChI Key: GPAPPPVRLPGFEQ-UHFFFAOYSA-N Synonym: 4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone PubChem CID: 6625 IUPAC Name: 1-chloro-4-(4-chlorobenzenesulfonyl)benzene SMILES: ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	6625
CAS	80-07-9
Molecular Weight (g/mol)	287.15
MDL Number	MFCD00000619
SMILES	ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1
Synonym	4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone
IUPAC Name	1-chloro-4-(4-chlorobenzenesulfonyl)benzene
InChI Key	GPAPPPVRLPGFEQ-UHFFFAOYSA-N
Molecular Formula	C12H8Cl2O2S

11,129

4-Chlorophenyl Methyl Sulfone 98.0+%, TCI America™

CAS: 98-57-7 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.641 MDL Number: MFCD00025067 InChI Key: LMCOQDVJBWVNNI-UHFFFAOYSA-N Synonym: 4-chlorophenyl methyl sulfone,1-chloro-4-methylsulfonyl benzene,p-chlorophenyl methyl sulfone,4-methylsulfuryl chlorobenzene,benzene, 1-chloro-4-methylsulfonyl,methyl 4-chlorophenyl sulfone,sulfone, p-chlorophenyl methyl,1-chloro-4-methylsulphonyl benzene,4-chlorophenylmethyl sulfone,methyl p-chlorophenyl sulfone PubChem CID: 7395 IUPAC Name: 1-chloro-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)Cl

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Specifications

PubChem CID	7395
CAS	98-57-7
Molecular Weight (g/mol)	190.641
MDL Number	MFCD00025067
SMILES	CS(=O)(=O)C1=CC=C(C=C1)Cl
Synonym	4-chlorophenyl methyl sulfone,1-chloro-4-methylsulfonyl benzene,p-chlorophenyl methyl sulfone,4-methylsulfuryl chlorobenzene,benzene, 1-chloro-4-methylsulfonyl,methyl 4-chlorophenyl sulfone,sulfone, p-chlorophenyl methyl,1-chloro-4-methylsulphonyl benzene,4-chlorophenylmethyl sulfone,methyl p-chlorophenyl sulfone
IUPAC Name	1-chloro-4-methylsulfonylbenzene
InChI Key	LMCOQDVJBWVNNI-UHFFFAOYSA-N
Molecular Formula	C7H7ClO2S

11,130

2-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

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Specifications

PubChem CID	243025
CAS	943-14-6
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00134558
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym	2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key	UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

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