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870485-68-0 | 1H-Benzimidazole-4-carbonitrile, 5-phenyl-
CAS No: 870485-68-0 Catalog No: AG004NIX MDL No:
Product Description
Catalog Number:
AG004NIX
Chemical Name:
1H-Benzimidazole-4-carbonitrile, 5-phenyl-
CAS Number:
870485-68-0
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
IUPAC Name:
5-phenyl-1H-benzimidazole-4-carbonitrile
InChI:
InChI=1S/C14H9N3/c15-8-12-11(10-4-2-1-3-5-10)6-7-13-14(12)17-9-16-13/h1-7,9H,(H,16,17)
InChI Key:
NKTLVVCCNZMAAB-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc2c1nc[nH]2)c1ccccc1
Properties
Complexity:
313
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.247g/mol
Monoisotopic Mass:
219.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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