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2-[cyano(phenyl)methyl]benzonitrile

2-[cyano(phenyl)methyl]benzonitrile

CAS: 127667-03-2

Formula: C15H10N2

SMILES: N#CC(C1=CC=CC=C1)C1=C(C=CC=C1)C#N

IUPAC: 2-[cyano(phenyl)methyl]benzonitrile

InChI: InChI=1/C15H10N2/c16-10-13-8-4-5-9-14(13)15(11-17)12-6-2-1-3-7-12/h1-9,15H

Composition: C (82.55%), H (4.62%), N (12.84%)

Molar Mass: 218.259

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 218.08439833
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FVQZELZNBUVEQG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.74
Topological Polar Surface Area 47.58
Polarizability 25.3
Ring Count 2
Rotatable Bond Count 2

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95% <2 Days 127667-03-2 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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