AG00ECA9

6287-83-8 | 1H-BENZIMIDAZOLE-5-CARBONITRILE

AG00ECA9

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CAS Number	6287-83-8
Catalog Number	AG00ECA9(AGN-PC-0ODX1O)
Chemical Name	1H-BENZIMIDAZOLE-5-CARBONITRILE
IUPAC Name	3H-benzimidazole-5-carbonitrile
InChI	InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)
InChI Key	NICYTXJGZRYCEQ-UHFFFAOYSA-N
MDL Number	MFCD06809988
Molecular Formula	C8H5N3
Molecular Weight	143.1454
NSC Number	12001
SMILES	N#CC1=CC2=C(C=C1)N=CN2
Synonyms	6287-83-8, 1H-Benzimidazole-5-carbonitrile, 1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE, 1H-1,3-Benzodiazole-5-carbonitrile, 5-Cyanobenzimidazole, 1H-Benzimidazole-6-carbonitrile, 1H-benzo[d]imidazole-5-carbonitrile, benzimidazole-5-carbonitrile, 3H-benzimidazole-5-carbonitrile, 5-Benzimidazolecarbonitrile, NICYTXJGZRYCEQ-UHFFFAOYSA-N, MFCD06809988, 69984-78-7, NSC12001, 1H-BENZOIMIDAZOLE-5-CARBONITRILE, AC1L5CWK, AC1Q4RGG, 6-cyano-1H-benzimidazol, 6-cyano-1H-benzimidazole, ACMC-209n9p, benzimidazole-6-carbonitrile, 1H-Benzimidazole-5-nitrile, SCHEMBL10720, BEN462, CTK2F2098, CTK5B6441, 5-Cyanobenzimidazole, AldrichCPR, 1H-Benzimidazole-5-carbonitrile #, CS-D0893, ZINC4353499, 1H-1,3-benzimidazol-5-yl cyanide, 1H-1,3-benzodiazole-6-carbonitrile, 3H-benzo[d]imidazole-5-carbonitrile, ANW-34427, ANW-71629, NSC-12001, SBB074257, STL433228, 1H-BENZIMIDAZOLE-5-CARBONITRIL, AKOS006351262, AKOS015951029, AB30476, AS07083, MCULE-1928630061, QC-5877, VI10175, AJ-50853, AJ-50854, CJ-11994, CS-13095, AB0049192, AB1007610, ST4151040, TC-123172, TC-160374, V6983, Y-2643, Z1642061012, null, C8H5N3, AR-1C3316, CID223906, ACN-046046, 6948-72-7,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.149g/mol
Monoisotopic Mass	143.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number