AG00BEZ3

221289-88-9 | 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBONITRILE

AG00BEZ3

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CAS Number	221289-88-9
Catalog Number	AG00BEZ3(AGN-PC-00DABO)
Chemical Name	2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
IUPAC Name	2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
InChI	InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,(H2,10,11,12)
InChI Key	HMERLJKYKSAIMU-UHFFFAOYSA-N
MDL Number	MFCD06659795
Molecular Formula	C8H5N3O
Molecular Weight	159.1448
SMILES	N#CC1=CC=C(C(N2)=C1)NC2=O
Synonyms	221289-88-9, 2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile, 2-oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile, 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carbonitrile, HMERLJKYKSAIMU-UHFFFAOYSA-N, 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBONITRILE, 2-OXO-1,3-DIHYDROBENZIMIDAZOLE-5-CARBONITRILE, 2-oxo-3-hydrobenzimidazole-5-carbonitrile, 5-cyanobenzimidazolinone, SCHEMBL1796589, CTK7C8308, DTXSID50469901, 1H-BENZIMIDAZOLE-5-CARBONITRILE, 2,3-DIHYDRO-2-OXO-, KS-00000ML3, 5-Cyano-2-hydroxy-1H-benzimidazole, 1219AB, MFCD06659795, SBB051484, STK661397, ZINC20159628, AKOS005531212, AKOS017405201, AKOS023778371, AB26323, MCULE-8240753324, RP22252, AJ-76208, AK125233, TS-01454, ST4148478, 2-hydroxy-1H-benzo[d]imidazole-5-carbonitrile, Y-2380, 2-Oxo-1,3-dihydro-1,3-benzodiazole-5-carbonitrile, 2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl cyanide, Z1416200949, 2-OXO-2,3-DIHYDRO-1H-BENZOIMIDAZOLE-5-CARBONITRILE, C8H5N3O, CID11643974, 2-oxo-1,3-dihydrobenzoimidazole-5-carbonitrile, 2,3-dihydro-2-oxo-1H-benzo[d]imidazole-5-carbonitrile,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	159.148g/mol
Monoisotopic Mass	159.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number