Free Chemical Databases
-
[Synonyms]
NSC21381
5435-92-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 213.66232 [g/mol] Molecular Formula C13H8ClN XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 1 Exact Mass 213.034527 MonoIsotopic Mass 213.034527 Topological Polar Surface Area 23.8 Heavy Atom Count 15 Formal Charge 0 Complexity 249 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
[ Descriptors Computed from Structure]
IUPAC Name: 2-chloro-4-phenylbenzonitrile
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)Cl
InChI: InChI=1/C13H8ClN/c14-13-8-11(6-7-12(13)9-15)10-4-2-1-3-5-10/h1-8H
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