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4350-51-0 | Benzonitrile,3-(2-pyridinyl)-
CAS No: 4350-51-0 Catalog No: AG00DK2T MDL No:
Product Description
Catalog Number:
AG00DK2T
Chemical Name:
Benzonitrile,3-(2-pyridinyl)-
CAS Number:
4350-51-0
IUPAC Name:
3-pyridin-2-ylbenzonitrile
InChI:
InChI=1S/C12H8N2/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12/h1-8H
InChI Key:
XGOHIDPYTAHUIW-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:
2.3
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