AG003EDC

5805-52-7 | 1H-Benzo[d]iMidazole-2-carboxaMide

AG003EDC

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CAS Number	5805-52-7
Catalog Number	AG003EDC(AGN-PC-0JRBT1)
Chemical Name	1H-Benzo[d]iMidazole-2-carboxaMide
IUPAC Name	1H-benzimidazole-2-carboxamide
InChI	InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)
InChI Key	XIZCDQOKKYYCRH-UHFFFAOYSA-N
MDL Number	MFCD05723975
Molecular Formula	C8H7N3O
Molecular Weight	161.1607
SMILES	NC(=O)C1=NC2=C(N1)C=CC=C2
Synonyms	1H-Benzo[d]imidazole-2-carboxamide, 5805-52-7, 1H-benzimidazole-2-carboxamide, 1H-Benzimidazole-2-carboxamide(9CI), AK-89515, benzimidazole carboxamide, benzimidazole-2-carboxamide, AC1L9IE3, SCHEMBL828618, CTK5A7792, DTXSID00332196, XIZCDQOKKYYCRH-UHFFFAOYSA-N, KS-00000B9F, ZINC5974863, 1H-1,3-benzodiazole-2-carboxamide, ANW-67235, MFCD05723975, AKOS016006757, CS-W003248, DS-2577, FCH3447653, FS-3706, MP-1975, TRA0016950, AC-29408, AJ-55379, CJ-12833, QC-10092, SY024481, AB0061856, AX8237998, ST2408891, TC-155980, 4CH-002045, Z4905, MFCD05723975 (95+%), C8H7N3O, CID445686, 1H-Benzimidazole-2-carboxamide (9CI), TRM,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.164g/mol
Monoisotopic Mass	161.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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