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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3,151 – 3,165 of 158,802 results

3,151

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2-Methoxy-4-nitrophenyl isothiocyanate, 97%

CAS: 190774-55-1 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.207 MDL Number: MFCD00041379 InChI Key: NXWXXLFRMVILJN-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci PubChem CID: 610837 IUPAC Name: 1-isothiocyanato-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

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PubChem CID	610837
CAS	190774-55-1
Molecular Weight (g/mol)	210.207
MDL Number	MFCD00041379
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
Synonym	2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci
IUPAC Name	1-isothiocyanato-2-methoxy-4-nitrobenzene
InChI Key	NXWXXLFRMVILJN-UHFFFAOYSA-N
Molecular Formula	C8H6N2O3S

3,152

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4-Methoxy-3-nitrobenzaldehyde, 98%

CAS: 31680-08-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00126498 InChI Key: YTCRQCGRYCKYNO-UHFFFAOYSA-N Synonym: 3-nitro-4-anisaldehyde,4-methoxy-3-nitro-benzaldehyde,benzaldehyde, 4-methoxy-3-nitro,3-nitro-4-methoxybenzaldehyde,pubchem8145,3-nitro-p-anisaldehyde,acmc-1adwt,4-methoxy-5-nitrobenzaldehyde,4-methoxy-3-nitrobenzaldehyde PubChem CID: 700608 IUPAC Name: 4-methoxy-3-nitrobenzaldehyde SMILES: COC1=CC=C(C=O)C=C1[N+]([O-])=O

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PubChem CID	700608
CAS	31680-08-7
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00126498
SMILES	COC1=CC=C(C=O)C=C1[N+]([O-])=O
Synonym	3-nitro-4-anisaldehyde,4-methoxy-3-nitro-benzaldehyde,benzaldehyde, 4-methoxy-3-nitro,3-nitro-4-methoxybenzaldehyde,pubchem8145,3-nitro-p-anisaldehyde,acmc-1adwt,4-methoxy-5-nitrobenzaldehyde,4-methoxy-3-nitrobenzaldehyde
IUPAC Name	4-methoxy-3-nitrobenzaldehyde
InChI Key	YTCRQCGRYCKYNO-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

3,153

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1-(3-bromopropoxy)-2-nitrobenzene, 90+%, Thermo Scientific™

CAS: 104147-69-5 MDL Number: MFCD00596660 InChI Key: HPZBIRIHQKSGGT-UHFFFAOYSA-N Synonym: 1-3-bromopropoxy-2-nitrobenzene,1-3-bromo-propoxy-2-nitro-benzene PubChem CID: 7172300 IUPAC Name: 1-(3-bromopropoxy)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OCCCBr

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Specifications

PubChem CID	7172300
CAS	104147-69-5
MDL Number	MFCD00596660
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])OCCCBr
Synonym	1-3-bromopropoxy-2-nitrobenzene,1-3-bromo-propoxy-2-nitro-benzene
IUPAC Name	1-(3-bromopropoxy)-2-nitrobenzene
InChI Key	HPZBIRIHQKSGGT-UHFFFAOYSA-N

3,154

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2-Hydroxy-5-nitrobenzaldehyde, 98%

CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O

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Specifications

PubChem CID	66808
CAS	97-51-8
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007337
SMILES	OC1=CC=C(C=C1C=O)[N+]([O-])=O
Synonym	5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052
IUPAC Name	2-hydroxy-5-nitrobenzaldehyde
InChI Key	IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

3,155

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4-Iodo-3-nitroanisole, 98+%

CAS: 58755-70-7 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD00024195 InChI Key: JWZODIRSJJQOKY-UHFFFAOYSA-N Synonym: 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 PubChem CID: 292659 IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]

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Specifications

PubChem CID	292659
CAS	58755-70-7
Molecular Weight (g/mol)	279.033
MDL Number	MFCD00024195
SMILES	COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569
IUPAC Name	1-iodo-4-methoxy-2-nitrobenzene
InChI Key	JWZODIRSJJQOKY-UHFFFAOYSA-N
Molecular Formula	C7H6INO3

3,156

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2-Bromo-5-nitroanisole, 98%

CAS: 77337-82-7 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00041250 InChI Key: NTKADLOYTKVXQN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole PubChem CID: 101293 IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	101293
CAS	77337-82-7
Molecular Weight (g/mol)	232.033
MDL Number	MFCD00041250
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole
IUPAC Name	1-bromo-2-methoxy-4-nitrobenzene
InChI Key	NTKADLOYTKVXQN-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

3,157

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2,6-Dimethyl-4-nitroanisole, 99%

CAS: 14804-39-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00024537 InChI Key: HSDNHFOJTRMGER-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro PubChem CID: 139835 IUPAC Name: 2-methoxy-1,3-dimethyl-5-nitrobenzene SMILES: COC1=C(C)C=C(C=C1C)[N+]([O-])=O

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Specifications

PubChem CID	139835
CAS	14804-39-8
Molecular Weight (g/mol)	181.19
MDL Number	MFCD00024537
SMILES	COC1=C(C)C=C(C=C1C)[N+]([O-])=O
Synonym	2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro
IUPAC Name	2-methoxy-1,3-dimethyl-5-nitrobenzene
InChI Key	HSDNHFOJTRMGER-UHFFFAOYSA-N
Molecular Formula	C9H11NO3

3,158

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2-Chloro-5-nitrobenzaldehyde, 97%

CAS: 6361-21-3 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007293 InChI Key: VFVHWCKUHAEDMY-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 PubChem CID: 72933 IUPAC Name: 2-chloro-5-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1

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PubChem CID	72933
CAS	6361-21-3
Molecular Weight (g/mol)	185.56
MDL Number	MFCD00007293
SMILES	[O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1
Synonym	benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046
IUPAC Name	2-chloro-5-nitrobenzaldehyde
InChI Key	VFVHWCKUHAEDMY-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO3

3,159

Selectophore™ 2-Nitrophenyl octyl ether, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00014693 Synonym: 1-Nitro-2-octyloxybenzene

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MDL Number	MFCD00014693
Synonym	1-Nitro-2-octyloxybenzene

3,160

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4-Fluoro-2-nitrobenzaldehyde, 98%

CAS: 2923-96-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD01666439 InChI Key: ORCGMGUNVGVHDN-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde PubChem CID: 76226 IUPAC Name: 4-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(F)=CC=C1C=O

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Specifications

PubChem CID	76226
CAS	2923-96-8
Molecular Weight (g/mol)	169.11
MDL Number	MFCD01666439
SMILES	[O-][N+](=O)C1=CC(F)=CC=C1C=O
Synonym	4-fluoro-2-nitro-benzaldehyde,benzaldehyde, 4-fluoro-2-nitro,pubchem15643,acmc-1chrz,wln: wnr cf fvh,2-nitro-4-fluorobenzaldehyde,ksc494k6p,4-fluoro-2-nitro benzaldehyde
IUPAC Name	4-fluoro-2-nitrobenzaldehyde
InChI Key	ORCGMGUNVGVHDN-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

3,161

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3-Bromo-5-nitrosalicylaldehyde, 98%

CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O

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Specifications

PubChem CID	519307
CAS	16789-84-7
Molecular Weight (g/mol)	246.02
MDL Number	MFCD00051833
SMILES	OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
Synonym	3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde
IUPAC Name	3-bromo-2-hydroxy-5-nitrobenzaldehyde
InChI Key	BESBCGANGAEHPM-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

3,162

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1-Nitro-2-(n-octyloxy)benzene, 98%

CAS: 37682-29-4 Molecular Formula: C14H21NO3 Molecular Weight (g/mol): 251.326 MDL Number: MFCD00014693 InChI Key: CXVOIIMJZFREMM-UHFFFAOYSA-N Synonym: 2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe PubChem CID: 169952 IUPAC Name: 1-nitro-2-octoxybenzene SMILES: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

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Specifications

PubChem CID	169952
CAS	37682-29-4
Molecular Weight (g/mol)	251.326
MDL Number	MFCD00014693
SMILES	CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
Synonym	2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe
IUPAC Name	1-nitro-2-octoxybenzene
InChI Key	CXVOIIMJZFREMM-UHFFFAOYSA-N
Molecular Formula	C14H21NO3

3,163

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4-Bromo-2-nitroanisole, 97%

CAS: 33696-00-3 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00055529 InChI Key: ORBHQHXVVMZIDP-UHFFFAOYSA-N Synonym: 4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol PubChem CID: 118533 IUPAC Name: 4-bromo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	118533
CAS	33696-00-3
Molecular Weight (g/mol)	232.033
MDL Number	MFCD00055529
SMILES	COC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol
IUPAC Name	4-bromo-1-methoxy-2-nitrobenzene
InChI Key	ORBHQHXVVMZIDP-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

3,164

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4-Methyl-3-nitrobenzaldehyde, 98%

CAS: 31680-07-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00017011 InChI Key: KHWGAWBXQOKXIJ-UHFFFAOYSA-N Synonym: 3-nitro-p-tolualdehyde,4-methyl-3-nitro-benzaldehyde,3-nitro-4-methylbenzaldehyde,benzaldehyde, 4-methyl-3-nitro,methylnitrobenzaldehyde,pubchem8157,acmc-209hod,4-methyl-3-nitrobenzaldehyde PubChem CID: 1798998 IUPAC Name: 4-methyl-3-nitrobenzaldehyde SMILES: CC1=CC=C(C=O)C=C1[N+]([O-])=O

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Specifications

PubChem CID	1798998
CAS	31680-07-6
Molecular Weight (g/mol)	165.15
MDL Number	MFCD00017011
SMILES	CC1=CC=C(C=O)C=C1[N+]([O-])=O
Synonym	3-nitro-p-tolualdehyde,4-methyl-3-nitro-benzaldehyde,3-nitro-4-methylbenzaldehyde,benzaldehyde, 4-methyl-3-nitro,methylnitrobenzaldehyde,pubchem8157,acmc-209hod,4-methyl-3-nitrobenzaldehyde
IUPAC Name	4-methyl-3-nitrobenzaldehyde
InChI Key	KHWGAWBXQOKXIJ-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

3,165

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4-Bromo-3-nitroanisole, 96%

CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	79288
CAS	5344-78-5
Molecular Weight (g/mol)	232.03
MDL Number	MFCD00051511
SMILES	COC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym	4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655
IUPAC Name	1-bromo-4-methoxy-2-nitrobenzene
InChI Key	KCOBIBRGPCFIGF-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

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