4-chloro-3-nitrobenzonitrile

4-chloro-3-nitrobenzonitrile

CAS: 939-80-0

Formula: C7H3ClN2O2

SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C#N

IUPAC: 4-chloro-3-nitrobenzonitrile

InChI: InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

Composition: C (46.05%), H (1.66%), Cl (19.42%), N (15.34%), O (17.53%)

Molar Mass: 182.56

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.988305
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XBLPHYSLHRGMNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.9
Topological Polar Surface Area	66.93
Polarizability	16.04
Ring Count	1
Rotatable Bond Count	1

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