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76889-76-4 | 2-(1H-BENZIMIDAZOL-2-YL)BENZONITRILE
CAS No: 76889-76-4 Catalog No: AG00GQST MDL No:
Product Description
Catalog Number:
AG00GQST
Chemical Name:
2-(1H-BENZIMIDAZOL-2-YL)BENZONITRILE
CAS Number:
76889-76-4
IUPAC Name:
2-(1H-benzimidazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H9N3/c15-9-10-5-1-2-6-11(10)14-16-12-7-3-4-8-13(12)17-14/h1-8H,(H,16,17)
InChI Key:
QDFTUAOALSHOGT-UHFFFAOYSA-N
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:
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:
3
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