Nitrobenzenes

Organic compounds that consist of a phenyl group with a nitro functional group substitution in the following structure: C6H5NO2; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond.

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2,4-Dinitrobenzaldehyde, 98%

CAS: 528-75-6 Molecular Formula: C7H4N2O5 Molecular Weight (g/mol): 196.118 MDL Number: MFCD00013376 InChI Key: ZILXIZUBLXVYPI-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dinitro,unii-zac919yu3z,ccris 2684,zac919yu3z,pubchem8223,benzaldehyde,4-dinitro,2,4-dinitro-benzaldehyde,acmc-209l2f,3-07-00-00923 beilstein handbook reference,ksc490k9l PubChem CID: 68250 IUPAC Name: 2,4-dinitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O

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Specifications

PubChem CID	68250
CAS	528-75-6
Molecular Weight (g/mol)	196.118
MDL Number	MFCD00013376
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
Synonym	benzaldehyde, 2,4-dinitro,unii-zac919yu3z,ccris 2684,zac919yu3z,pubchem8223,benzaldehyde,4-dinitro,2,4-dinitro-benzaldehyde,acmc-209l2f,3-07-00-00923 beilstein handbook reference,ksc490k9l
IUPAC Name	2,4-dinitrobenzaldehyde
InChI Key	ZILXIZUBLXVYPI-UHFFFAOYSA-N
Molecular Formula	C7H4N2O5

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

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

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Specifications

MDL Number	MFCD00014693
Synonym	1-Nitro-2-octyloxybenzene

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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

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1-Difluoromethoxy-3-nitrobenzene, 98%, Thermo Scientific Chemicals

CAS: 22236-07-3 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.12 MDL Number: MFCD03407974 InChI Key: NYVCZALWNPMMSQ-UHFFFAOYSA-N Synonym: 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole PubChem CID: 2774117 IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OC(F)F)=C1

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Specifications

PubChem CID	2774117
CAS	22236-07-3
Molecular Weight (g/mol)	189.12
MDL Number	MFCD03407974
SMILES	[O-][N+](=O)C1=CC=CC(OC(F)F)=C1
Synonym	1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole
IUPAC Name	1-(difluoromethoxy)-3-nitrobenzene
InChI Key	NYVCZALWNPMMSQ-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO3

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2-Nitrobenzaldehyde, 98+%

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

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Specifications

PubChem CID	11101
CAS	552-89-6
Molecular Weight (g/mol)	151.121
ChEBI	CHEBI:66927
MDL Number	MFCD00007132
SMILES	C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym	o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name	2-nitrobenzaldehyde
InChI Key	CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula	C7H5NO3

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4,5-Dimethoxy-2-nitrobenzyl alcohol, 98%

CAS: 1016-58-6 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00014701 InChI Key: WBSCOJBVYHQOFB-UHFFFAOYSA-N Synonym: 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol PubChem CID: 66097 IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methanol SMILES: COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC

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Specifications

PubChem CID	66097
CAS	1016-58-6
Molecular Weight (g/mol)	213.189
MDL Number	MFCD00014701
SMILES	COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC
Synonym	4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol
IUPAC Name	(4,5-dimethoxy-2-nitrophenyl)methanol
InChI Key	WBSCOJBVYHQOFB-UHFFFAOYSA-N
Molecular Formula	C9H11NO5

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2-Methoxy-4-nitrobenzenesulfonyl chloride, 97%

CAS: 21320-91-2 Molecular Formula: C7H6ClNO5S Molecular Weight (g/mol): 251.64 MDL Number: MFCD03094697 InChI Key: QECYXMKYZQXEHM-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride PubChem CID: 309458 SMILES: COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O

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Specifications

PubChem CID	309458
CAS	21320-91-2
Molecular Weight (g/mol)	251.64
MDL Number	MFCD03094697
SMILES	COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym	2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride
InChI Key	QECYXMKYZQXEHM-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO5S

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4-Hydroxy-3-nitrobenzaldehyde, 98%

CAS: 3011-34-5 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007117 InChI Key: YTHJCZRFJGXPTL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f PubChem CID: 18169 SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O

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Specifications

PubChem CID	18169
CAS	3011-34-5
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007117
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
Synonym	4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f
InChI Key	YTHJCZRFJGXPTL-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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3-Nitrobenzaldehyde, 99%

CAS: 99-61-6 Molecular Formula: C₇H₅NO₃ Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007249 InChI Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Synonym: m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde PubChem CID: 7449 IUPAC Name: 3-nitrobenzaldehyde SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=O

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Specifications

PubChem CID	7449
CAS	99-61-6
Molecular Weight (g/mol)	151.12
MDL Number	MFCD00007249
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Synonym	m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde
IUPAC Name	3-nitrobenzaldehyde
InChI Key	ZETIVVHRRQLWFW-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₃

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5-Bromo-3-nitrosalicylaldehyde, 97%

CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br

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Specifications

PubChem CID	618699
CAS	16634-88-1
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00130110
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
Synonym	5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde
InChI Key	YEYPSUQQZNDKDE-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

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4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

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Specifications

PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD01861388
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde
IUPAC Name	4-fluoro-3-nitrobenzaldehyde
InChI Key	ILKWFRCNNILIJW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

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2-Hydroxy-3-nitrobenzaldehyde, 98%

CAS: 5274-70-4 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00041874 InChI Key: NUGOTBXFVWXVTE-UHFFFAOYSA-N Synonym: 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro PubChem CID: 78934 IUPAC Name: 2-hydroxy-3-nitrobenzaldehyde SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O

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Specifications

PubChem CID	78934
CAS	5274-70-4
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00041874
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
Synonym	3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro
IUPAC Name	2-hydroxy-3-nitrobenzaldehyde
InChI Key	NUGOTBXFVWXVTE-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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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

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4-Fluoro-2-nitroanisole, 98%

CAS: 445-83-0 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.13 MDL Number: MFCD00013375 InChI Key: FWLPYISRFBKEKV-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j PubChem CID: 565656 IUPAC Name: 4-fluoro-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(F)C=C1)[N+]([O-])=O

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Specifications

PubChem CID	565656
CAS	445-83-0
Molecular Weight (g/mol)	171.13
MDL Number	MFCD00013375
SMILES	COC1=C(C=C(F)C=C1)[N+]([O-])=O
Synonym	4-fluoro-2-nitroanisole,4-fluoro-2-nitroanisol,benzene, 4-fluoro-1-methoxy-2-nitro,4-fluoro-1-methoxy-2-nitro-benzene,5-fluoro-2-methoxynitrobenzene,4-fluor-1-methoxy-2-nitrobenzol,pubchem1966,acmc-1amcp,4-fluoro-2-nitro-anisole,ksc235o8j
IUPAC Name	4-fluoro-1-methoxy-2-nitrobenzene
InChI Key	FWLPYISRFBKEKV-UHFFFAOYSA-N
Molecular Formula	C7H6FNO3

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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

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