2-(3-chlorophenyl)benzonitrile


Chemical Name: 2-(3-chlorophenyl)benzonitrile
CAS Number: 1338095-85-4
Product Number: AG007MV9(AGN-PC-0K4NEM)
Synonyms:
MDL No:
Molecular Formula: C13H8ClN
Molecular Weight: 213.6623

Identification/Properties


Computed Properties
Molecular Weight:
213.664g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
213.035g/mol
Monoisotopic Mass:
213.035g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
255
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

Safety Information


NMR Spectrum


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