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3-nitrobiphenyl

3-nitrobiphenyl

CAS: 2113-58-8

Formula: C12H9NO2

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

IUPAC: 3-nitro-1,1'-biphenyl

InChI: InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Composition: C (72.35%), H (4.55%), N (7.03%), O (16.06%)

Molar Mass: 199.209

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 199.063328534
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FYRPEHRWMVMHQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.51
Topological Polar Surface Area 43.14
Polarizability 23.16
Ring Count 2
Rotatable Bond Count 2

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