Organic oxoazanium compounds

Organic compounds that contain or are associated with an oxoazanium ion; oxoazanium ions have an oxygen atom bonded to a nitrogen atom via a double bond, and the nitrogen atom is bonded to two hydrogen atoms.

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4-Nitrophthalonitrile, 97%

CAS: 31643-49-9 Molecular Formula: C8H3N3O2 Molecular Weight (g/mol): 173.13 MDL Number: MFCD00040301 InChI Key: NTZMSBAAHBICLE-UHFFFAOYSA-N Synonym: 4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile PubChem CID: 97443 IUPAC Name: 4-nitrobenzene-1,2-dicarbonitrile SMILES: [O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N

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PubChem CID	97443
CAS	31643-49-9
Molecular Weight (g/mol)	173.13
MDL Number	MFCD00040301
SMILES	[O-][N+](=O)C1=CC=C(C#N)C(=C1)C#N
Synonym	4-nitrophthalonitrile,5-nitrobenzene-1,2-dicarbonitrile,4-nitro-1,2-benzenedicarbonitrile,1,2-dicyano-4-nitrobenzene,3,4-dicyanonitrobenzene,phthalonitrile, 4-nitro,4-nitro-phthalonitrile,1,2-benzenedicarbonitrile, 4-nitro,5-nitro-1,2-benzenedicarbonitrile,4-nitro-o-benzenedinitrile
IUPAC Name	4-nitrobenzene-1,2-dicarbonitrile
InChI Key	NTZMSBAAHBICLE-UHFFFAOYSA-N
Molecular Formula	C8H3N3O2

3,4-Dichloronitrobenzene, 95%, Thermo Scientific™

CAS: 99-54-7 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD00007207 InChI Key: NTBYINQTYWZXLH-UHFFFAOYSA-N Synonym: 3,4-dichloronitrobenzene,benzene, 1,2-dichloro-4-nitro,dcnb,1-nitro-3,4-dichlorobenzene,3,4-dichlornitrobenzen,unii-ijt74ji7fs,ccris 3097,1,2-dichloro-4-nitro-benzene,3,4-dichlornitrobenzen czech,3,4-dichloronitrobenzen czech PubChem CID: 7443 IUPAC Name: 1,2-dichloro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1

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PubChem CID	7443
CAS	99-54-7
Molecular Weight (g/mol)	192.00
MDL Number	MFCD00007207
SMILES	[O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1
Synonym	3,4-dichloronitrobenzene,benzene, 1,2-dichloro-4-nitro,dcnb,1-nitro-3,4-dichlorobenzene,3,4-dichlornitrobenzen,unii-ijt74ji7fs,ccris 3097,1,2-dichloro-4-nitro-benzene,3,4-dichlornitrobenzen czech,3,4-dichloronitrobenzen czech
IUPAC Name	1,2-dichloro-4-nitrobenzene
InChI Key	NTBYINQTYWZXLH-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2NO2

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2,6-Dinitrobenzonitrile, 98+%

CAS: 35213-00-4 Molecular Formula: C7H3N3O4 Molecular Weight (g/mol): 193.118 MDL Number: MFCD00041246 InChI Key: ZYDGHQSJZAFMLU-UHFFFAOYSA-N Synonym: dinitrobenzonitrile,benzonitrile, 2,6-dinitro,2,6-dinitro-benzonitrile,2,6-dinitrobenzenecarbonitrile,2,6-dinitrobenznitrile,pubchem21108,2.6-dinitrobenzonitril,2,6 dinitrobenzonitrile,2,6-dini trobenzonitrile,acmc-1ad1y PubChem CID: 520718 IUPAC Name: 2,6-dinitrobenzonitrile SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-]

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Specifications

PubChem CID	520718
CAS	35213-00-4
Molecular Weight (g/mol)	193.118
MDL Number	MFCD00041246
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-]
Synonym	dinitrobenzonitrile,benzonitrile, 2,6-dinitro,2,6-dinitro-benzonitrile,2,6-dinitrobenzenecarbonitrile,2,6-dinitrobenznitrile,pubchem21108,2.6-dinitrobenzonitril,2,6 dinitrobenzonitrile,2,6-dini trobenzonitrile,acmc-1ad1y
IUPAC Name	2,6-dinitrobenzonitrile
InChI Key	ZYDGHQSJZAFMLU-UHFFFAOYSA-N
Molecular Formula	C7H3N3O4

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1-Fluoro-4-nitrobenzene, 99%

CAS: 350-46-9 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.101 MDL Number: MFCD00007282 InChI Key: WFQDTOYDVUWQMS-UHFFFAOYSA-N Synonym: 4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene PubChem CID: 9590 IUPAC Name: 1-fluoro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])F

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PubChem CID	9590
CAS	350-46-9
Molecular Weight (g/mol)	141.101
MDL Number	MFCD00007282
SMILES	C1=CC(=CC=C1[N+](=O)[O-])F
Synonym	4-fluoronitrobenzene,p-fluoronitrobenzene,p-nitrofluorobenzene,benzene, 1-fluoro-4-nitro,4-nitrofluorobenzene,1-nitro-4-fluorobenzene,4-fluoro-1-nitrobenzene,1-fluoro-4-nitro-benzene,unii-a2m2fh7xhh,p-fluoro nitrobenzene
IUPAC Name	1-fluoro-4-nitrobenzene
InChI Key	WFQDTOYDVUWQMS-UHFFFAOYSA-N
Molecular Formula	C6H4FNO2

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2-Fluoro-5-nitrobenzonitrile, 98+%

CAS: 17417-09-3 Molecular Formula: C7H3FN2O2 Molecular Weight (g/mol): 166.11 MDL Number: MFCD00042299 InChI Key: YLACBMHBZVYOAP-UHFFFAOYSA-N Synonym: benzonitrile, 2-fluoro-5-nitro,3-cyano-4-fluoronitrobenzene,2-fluoro-5-nitro-benzonitrile,2-fluoro-5-nitrobenzenecarbonitrile,2-fluoro-5-nitrobenzenenitrile,3-cyano-4-fluoro-1-nitrobenzene,pubchem4792,intermediates-zcf02297,acmc-209e7w,5-nitro-2-fluorobenzonitrile PubChem CID: 519417 IUPAC Name: 2-fluoro-5-nitrobenzonitrile SMILES: [O-][N+](=O)C1=CC=C(F)C(=C1)C#N

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Specifications

PubChem CID	519417
CAS	17417-09-3
Molecular Weight (g/mol)	166.11
MDL Number	MFCD00042299
SMILES	[O-][N+](=O)C1=CC=C(F)C(=C1)C#N
Synonym	benzonitrile, 2-fluoro-5-nitro,3-cyano-4-fluoronitrobenzene,2-fluoro-5-nitro-benzonitrile,2-fluoro-5-nitrobenzenecarbonitrile,2-fluoro-5-nitrobenzenenitrile,3-cyano-4-fluoro-1-nitrobenzene,pubchem4792,intermediates-zcf02297,acmc-209e7w,5-nitro-2-fluorobenzonitrile
IUPAC Name	2-fluoro-5-nitrobenzonitrile
InChI Key	YLACBMHBZVYOAP-UHFFFAOYSA-N
Molecular Formula	C7H3FN2O2

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Ethyl 7-nitroindole-2-carboxylate, 95%

CAS: 6960-46-9 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.211 MDL Number: MFCD00216475 InChI Key: GTZAIVBXGPLYGD-UHFFFAOYSA-N Synonym: ethyl 7-nitroindole-2-carboxylate,7-nitroindole-2-carboxylic acid ethyl ester,1h-indole-2-carboxylic acid, 7-nitro-, ethyl ester,ethyl-7-nitro-1h-indole-2-carboxylate,2-carbethoxy-7-nitroindole,ethyl 7-nitro-2-indolecarboxylate,indole-2-carboxylic acid, 7-nitro-, ethyl ester,1h-indole-2-carboxylicacid, 7-nitro-, ethyl ester PubChem CID: 250407 IUPAC Name: ethyl 7-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-]

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Specifications

PubChem CID	250407
CAS	6960-46-9
Molecular Weight (g/mol)	234.211
MDL Number	MFCD00216475
SMILES	CCOC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-]
Synonym	ethyl 7-nitroindole-2-carboxylate,7-nitroindole-2-carboxylic acid ethyl ester,1h-indole-2-carboxylic acid, 7-nitro-, ethyl ester,ethyl-7-nitro-1h-indole-2-carboxylate,2-carbethoxy-7-nitroindole,ethyl 7-nitro-2-indolecarboxylate,indole-2-carboxylic acid, 7-nitro-, ethyl ester,1h-indole-2-carboxylicacid, 7-nitro-, ethyl ester
IUPAC Name	ethyl 7-nitro-1H-indole-2-carboxylate
InChI Key	GTZAIVBXGPLYGD-UHFFFAOYSA-N
Molecular Formula	C11H10N2O4

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1-Chloro-2-nitrobenzene, 99+%

CAS: 88-73-3 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.55 MDL Number: MFCD00007061 InChI Key: BFCFYVKQTRLZHA-UHFFFAOYSA-N Synonym: 2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene PubChem CID: 6945 ChEBI: CHEBI:34270 IUPAC Name: 1-chloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1Cl

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Specifications

PubChem CID	6945
CAS	88-73-3
Molecular Weight (g/mol)	157.55
ChEBI	CHEBI:34270
MDL Number	MFCD00007061
SMILES	[O-][N+](=O)C1=CC=CC=C1Cl
Synonym	2-chloronitrobenzene,o-chloronitrobenzene,2-nitrochlorobenzene,chloronitrobenzene,o-nitrochlorobenzene,benzene, 1-chloro-2-nitro,2-chloro-1-nitrobenzene,oncb,benzene, chloronitro,nitrochlorobenzene
IUPAC Name	1-chloro-2-nitrobenzene
InChI Key	BFCFYVKQTRLZHA-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO2

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2,4-Difluoro-1-nitrobenzene, 98%

CAS: 446-35-5 Molecular Formula: C6H3F2NO2 Molecular Weight (g/mol): 159.09 MDL Number: MFCD00007050 InChI Key: RJXOVESYJFXCGI-UHFFFAOYSA-N Synonym: 2,4-difluoronitrobenzene,benzene, 2,4-difluoro-1-nitro,1-nitro-2,4-difluorobenzene,1,3-difluoro-4-nitrobenzene,unii-6398y1d7js,2,4-difluoro-1-nitro-benzene,pubchem2288,2,4-difluornitrobenzol,2,4-difluoronitrobenzol,acmc-1akft PubChem CID: 67967 IUPAC Name: 2,4-difluoro-1-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(F)C=C1F

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Specifications

PubChem CID	67967
CAS	446-35-5
Molecular Weight (g/mol)	159.09
MDL Number	MFCD00007050
SMILES	[O-][N+](=O)C1=CC=C(F)C=C1F
Synonym	2,4-difluoronitrobenzene,benzene, 2,4-difluoro-1-nitro,1-nitro-2,4-difluorobenzene,1,3-difluoro-4-nitrobenzene,unii-6398y1d7js,2,4-difluoro-1-nitro-benzene,pubchem2288,2,4-difluornitrobenzol,2,4-difluoronitrobenzol,acmc-1akft
IUPAC Name	2,4-difluoro-1-nitrobenzene
InChI Key	RJXOVESYJFXCGI-UHFFFAOYSA-N
Molecular Formula	C6H3F2NO2

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Ethyl 4-nitroindole-2-carboxylate, 97%

CAS: 4993-93-5 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.211 MDL Number: MFCD06795512 InChI Key: LXUABEANNNKOLF-UHFFFAOYSA-N Synonym: ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester PubChem CID: 283173 IUPAC Name: ethyl 4-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]

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Specifications

PubChem CID	283173
CAS	4993-93-5
Molecular Weight (g/mol)	234.211
MDL Number	MFCD06795512
SMILES	CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-]
Synonym	ethyl 4-nitroindole-2-carboxylate,4-nitro-indole-2-carboxylic acid ethyl ester,4-nitro-1h-indole-2-carboxylic acid ethyl ester,ethyl-4-nitroindole-2-carboxylate,ethyl 4-nitro-2-indolecarboxylate,1h-indole-2-carboxylic acid, 4-nitro-, ethyl ester
IUPAC Name	ethyl 4-nitro-1H-indole-2-carboxylate
InChI Key	LXUABEANNNKOLF-UHFFFAOYSA-N
Molecular Formula	C11H10N2O4

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1-Chloro-4-nitrobenzene, 98+%

CAS: 100-00-5 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00007285 InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N Synonym: 4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene PubChem CID: 7474 ChEBI: CHEBI:34399 IUPAC Name: 1-chloro-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl

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Specifications

PubChem CID	7474
CAS	100-00-5
Molecular Weight (g/mol)	157.553
ChEBI	CHEBI:34399
MDL Number	MFCD00007285
SMILES	C1=CC(=CC=C1[N+](=O)[O-])Cl
Synonym	4-chloronitrobenzene,p-chloronitrobenzene,p-nitrochlorobenzene,benzene, 1-chloro-4-nitro,4-nitrochlorobenzene,pncb,4-chloro-1-nitrobenzene,p-nitrophenyl chloride,p-nitrochlorobenzol,p-nitroclorobenzene
IUPAC Name	1-chloro-4-nitrobenzene
InChI Key	CZGCEKJOLUNIFY-UHFFFAOYSA-N
Molecular Formula	C6H4ClNO2

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4-Fluoro-3-nitroaniline, 98%

CAS: 364-76-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007833 InChI Key: LLIOADBCFIXIEU-UHFFFAOYSA-N Synonym: 3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline PubChem CID: 67768 ChEBI: CHEBI:48642 IUPAC Name: 4-fluoro-3-nitroaniline SMILES: NC1=CC=C(F)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	67768
CAS	364-76-1
Molecular Weight (g/mol)	156.12
ChEBI	CHEBI:48642
MDL Number	MFCD00007833
SMILES	NC1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	3-nitro-4-fluoroaniline,4-fluoro-3-nitrobenzenamine,benzenamine, 4-fluoro-3-nitro,aniline, 4-fluoro-3-nitro,4-fluoro-3-nitro-aniline,5-amino-2-fluoronitrobenzene,4-fluoro-3-nitro-phenylamine,3-nitro-4-fluoroanailine,3-nitro-4-fluoro aniline,4-fluoro-3-nitro aniline
IUPAC Name	4-fluoro-3-nitroaniline
InChI Key	LLIOADBCFIXIEU-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O2

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Ethyl 5-nitroindole-2-carboxylate, 97%

CAS: 16732-57-3 Molecular Formula: C11H10N2O4 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00216477 InChI Key: DVFJMQCNICEPAI-UHFFFAOYSA-N Synonym: ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7 PubChem CID: 280312 IUPAC Name: ethyl 5-nitro-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O

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Specifications

PubChem CID	280312
CAS	16732-57-3
Molecular Weight (g/mol)	234.21
MDL Number	MFCD00216477
SMILES	CCOC(=O)C1=CC2=CC(=CC=C2N1)[N+]([O-])=O
Synonym	ethyl 5-nitroindole-2-carboxylate,ethyl-5-nitroindole-2-carboxylate,5-nitroindole-2-carboxylic acid ethyl ester,ethyl-5-nitro-1h-indole-carboxylate,1h-indole-2-carboxylic acid, 5-nitro-, ethyl ester,2-ethoxycarbonyl-5-nitroindole,2-ethoxycarbonyl-5-nitro-1h-indole,labotest-bb lt00441291,pubchem3016,acmc-209dw7
IUPAC Name	ethyl 5-nitro-1H-indole-2-carboxylate
InChI Key	DVFJMQCNICEPAI-UHFFFAOYSA-N
Molecular Formula	C11H10N2O4

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3,5-Dichloro-4-fluoro-1-nitrobenzene, 95%

CAS: 3107-19-5 Molecular Formula: C6H2Cl2FNO2 Molecular Weight (g/mol): 209.99 MDL Number: MFCD00129963 InChI Key: VMAATSFMXSMKPG-UHFFFAOYSA-N Synonym: 3,5-dichloro-4-fluoronitrobenzene,benzene, 1,3-dichloro-2-fluoro-5-nitro,2,6-dichloro-4-nitrofluorobenzene,zlchem 371,pubchem4387,acmc-209hk6,ksc495g6p,3,5-dichloro-4-fluoro-1-nitrobenzene,1,3-dichloro-2-fluoro-5-nitro-benzene PubChem CID: 76554 IUPAC Name: 1,3-dichloro-2-fluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=C(F)C(Cl)=C1

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Specifications

PubChem CID	76554
CAS	3107-19-5
Molecular Weight (g/mol)	209.99
MDL Number	MFCD00129963
SMILES	[O-][N+](=O)C1=CC(Cl)=C(F)C(Cl)=C1
Synonym	3,5-dichloro-4-fluoronitrobenzene,benzene, 1,3-dichloro-2-fluoro-5-nitro,2,6-dichloro-4-nitrofluorobenzene,zlchem 371,pubchem4387,acmc-209hk6,ksc495g6p,3,5-dichloro-4-fluoro-1-nitrobenzene,1,3-dichloro-2-fluoro-5-nitro-benzene
IUPAC Name	1,3-dichloro-2-fluoro-5-nitrobenzene
InChI Key	VMAATSFMXSMKPG-UHFFFAOYSA-N
Molecular Formula	C6H2Cl2FNO2

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4-(4-Nitrobenzyl)pyridine, 98+%

CAS: 1083-48-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00006445 InChI Key: MNHKUCBXXMFQDM-UHFFFAOYSA-N Synonym: 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine PubChem CID: 14129 IUPAC Name: 4-[(4-nitrophenyl)methyl]pyridine SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1

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Specifications

PubChem CID	14129
CAS	1083-48-3
Molecular Weight (g/mol)	214.22
MDL Number	MFCD00006445
SMILES	[O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1
Synonym	4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine
IUPAC Name	4-[(4-nitrophenyl)methyl]pyridine
InChI Key	MNHKUCBXXMFQDM-UHFFFAOYSA-N
Molecular Formula	C12H10N2O2

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6-Nitrobenzothiazole, 98+%

CAS: 2942-06-5 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.18 MDL Number: MFCD00014569 InChI Key: QLUFBCVWKTWKBF-UHFFFAOYSA-N IUPAC Name: 6-nitro-1,3-benzothiazole

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Specifications

CAS	2942-06-5
Molecular Weight (g/mol)	180.18
MDL Number	MFCD00014569
IUPAC Name	6-nitro-1,3-benzothiazole
InChI Key	QLUFBCVWKTWKBF-UHFFFAOYSA-N
Molecular Formula	C7H4N2O2S

Organic oxoazanium compounds

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