4-chlorobenzonitrile

4-chlorobenzonitrile

CAS: 623-03-0

Formula: C7H4ClN

SMILES: ClC1=CC=C(C=C1)C#N

IUPAC: 4-chlorobenzonitrile

InChI: InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Composition: C (61.12%), H (2.93%), Cl (25.77%), N (10.18%)

Molar Mass: 137.57

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	137.0032268
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GJNGXPDXRVXSEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.58
Topological Polar Surface Area	23.79
Polarizability	14.02
Ring Count	1
Rotatable Bond Count	0

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