AG008POP

73903-18-1 | 5-Nitro-1H-benzo[d]imidazole-2-carboxylic acid

AG008POP

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CAS Number	73903-18-1
Catalog Number	AG008POP(AGN-PC-0WABK3)
Chemical Name	5-Nitro-1H-benzo[d]imidazole-2-carboxylic acid
IUPAC Name	6-nitro-1H-benzimidazole-2-carboxylic acid
InChI	InChI=1S/C8H5N3O4/c12-8(13)7-9-5-2-1-4(11(14)15)3-6(5)10-7/h1-3H,(H,9,10)(H,12,13)
InChI Key	GSEMJEXTHJEELQ-UHFFFAOYSA-N
MDL Number	MFCD09832097
Molecular Formula	C8H5N3O4
Molecular Weight	207.1430
SMILES	O=C(C1=NC2=CC([N+]([O-])=O)=CC=C2N1)O
Synonyms	5-Nitro-1H-benzo[d]imidazole-2-carboxylic acid, 73903-18-1, 5-nitro-1H-benzimidazole-2-carboxylic acid, AK-43618, 6-nitro-1H-benzimidazole-2-carboxylic acid, SCHEMBL3035932, CTK8C5241, DTXSID00441732, GSEMJEXTHJEELQ-UHFFFAOYSA-N, ANW-74889, MFCD09832097, ZINC39018664, AKOS016001867, MP-1772, AC-29395, AJ-97364, QC-10071, AB0069200, AX8167023, TC-163634, 4CH-002018, 5-Nitro-1H-benzoimidazole-2-carboxylic acid, CS-0060638, FT-0701550, ST24029541, Z5085, 03N181, C8H5N3O4, CID10560239, 6-nitro-1H-benzoimidazole-2-carboxylic Acid, 1H-Benzimidazole-2-carboxylic acid, 6-nitro-, 5-NITRO-1H-BENZOIMIDAZOLE-2-CARBOXYLICACID,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.028g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.145g/mol
Monoisotopic Mass	207.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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