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2-{[1,1'-biphenyl]-4-yl}acetonitrile

2-{[1,1'-biphenyl]-4-yl}acetonitrile

CAS: 31603-77-7

Formula: C14H11N

SMILES: N#CCC1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yl}acetonitrile

InChI: InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2

Composition: C (87.01%), H (5.74%), N (7.25%)

Molar Mass: 193.249

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.089149358
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HSZCNGTZJWZAMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.48
Topological Polar Surface Area 23.79
Polarizability 24.95
Ring Count 2
Rotatable Bond Count 2

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