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855196-53-1 | 2-(Pyridin-3-yl)benzonitrile
CAS No: 855196-53-1 Catalog No: AG00IDOU MDL No:
Product Description
Catalog Number:
AG00IDOU
Chemical Name:
2-(Pyridin-3-yl)benzonitrile
CAS Number:
855196-53-1
IUPAC Name:
2-pyridin-3-ylbenzonitrile
InChI:
InChI=1S/C12H8N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h1-7,9H
InChI Key:
VQKCYXWRTWMTBP-UHFFFAOYSA-N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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