2-Phenylisonicotinonitrile


Chemical Name: 2-Phenylisonicotinonitrile
CAS Number: 33744-17-1
Product Number: AG00CB1Y(AGN-PC-0WAKHJ)
Synonyms:
MDL No:
Molecular Formula: C12H8N2
Molecular Weight: 180.2053

Identification/Properties


Computed Properties
Molecular Weight:
180.21g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
180.069g/mol
Monoisotopic Mass:
180.069g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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