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25699-93-8 | Benzonitrile, 2-(1H-benzimidazol-1-yl)-
CAS No: 25699-93-8 Catalog No: AG007M94 MDL No:
Product Description
Catalog Number:
AG007M94
Chemical Name:
Benzonitrile, 2-(1H-benzimidazol-1-yl)-
CAS Number:
25699-93-8
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
IUPAC Name:
2-(benzimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C14H9N3/c15-9-11-5-1-3-7-13(11)17-10-16-12-6-2-4-8-14(12)17/h1-8,10H
InChI Key:
OENXQLAWUPRDQB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1cnc2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.247g/mol
Monoisotopic Mass:
219.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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