Free Chemical Databases
-
[Synonyms]
NSC52
2,3,3-TRIPHENYLPROPIONITRILE
ST5446772
5350-66-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 283.36638 [g/mol] Molecular Formula C21H17N XLogP 4.7 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 4 Exact Mass 283.1361 MonoIsotopic Mass 283.1361 Topological Polar Surface Area 23.8 Heavy Atom Count 22 Formal Charge 0 Complexity 343 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,3,3-tri(phenyl)propanenitrile
Canonical SMILES: C1=CC=C(C=C1)C(C#N)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1/C21H17N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-
8-3-9-15-19/h1-15,20-21H
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