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918152-18-8 | 1H-Benzimidazole-5-carbonitrile, 1-cyclopropyl-2,3-dihydro-2-oxo-
CAS No: 918152-18-8 Catalog No: AG0069DE MDL No:
Product Description
Catalog Number:
AG0069DE
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 1-cyclopropyl-2,3-dihydro-2-oxo-
CAS Number:
918152-18-8
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
IUPAC Name:
1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C11H9N3O/c12-6-7-1-4-10-9(5-7)13-11(15)14(10)8-2-3-8/h1,4-5,8H,2-3H2,(H,13,15)
InChI Key:
PQDFBOWJPZAWDE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(=O)n2C1CC1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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