AG000CS0

116568-17-3 | 1H-Benzimidazole-6-carboxamide

AG000CS0

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CAS Number	116568-17-3
Catalog Number	AG000CS0(AGN-PC-0NZ1A7)
Chemical Name	1H-Benzimidazole-6-carboxamide
IUPAC Name	3H-benzimidazole-5-carboxamide
InChI	InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChI Key	FNLQDVXHDNFXIY-UHFFFAOYSA-N
MDL Number	MFCD07506162
Molecular Formula	C8H7N3O
Molecular Weight	161.1607
SMILES	O=C(C1=CC=C2NC=NC2=C1)N
Synonyms	116568-17-3, 1H-Benzo[d]imidazole-6-carboxamide, 1H-benzimidazole-5-carboxamide, 1H-Benzoimidazole-5-carboxylic acid amide, 1H-Benzimidazole-6-carboxamide, 1H-1,3-benzodiazole-5-carboxamide, 1H-Benzo[d]imidazole-5-carboxamide, benzimidazole-5-carboxamide, FNLQDVXHDNFXIY-UHFFFAOYSA-N, 3H-benzimidazole-5-carboxamide, ACMC-20mmnb, benzoimidazole-5-carboxamide, SCHEMBL476587, 1H-Benzoimidazole-5-carboxamide, CTK0H3052, CTK8E3251, DTXSID30572624, BCP27970, 2711AA, MFCD07506162, STL200279, ZINC27986912, AKOS002314950, AKOS022171450, FS-2220, MCULE-9328613043, AJ-83377, AK115220, SC-69446, DB-060892, ST2403519, TR-003028, 4CH-016933, FT-0681763, ST45184256, I04-3480, D0D4QL, Benzimidazole 5-carboxamide, C8H7N3O, 3H-benzo[d]imidazole-5-carboxamide, ACN-052433, 313277-30-4,

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	0.7

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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