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4'-nitro-[1,1'-biphenyl]-4-carbonitrile

4'-nitro-[1,1'-biphenyl]-4-carbonitrile

CAS: 31835-63-9

Formula: C13H8N2O2

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C#N

IUPAC: 4'-nitro-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C13H8N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h1-8H

Composition: C (69.64%), H (3.60%), N (12.49%), O (14.27%)

Molar Mass: 224.219

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.058577506
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QHWXJDVNOZETQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.24
Topological Polar Surface Area 66.93
Polarizability 24.97
Ring Count 2
Rotatable Bond Count 2

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