4-(chloromethyl)benzonitrile

4-(chloromethyl)benzonitrile

CAS: 874-86-2

Formula: C8H6ClN

SMILES: ClCC1=CC=C(C=C1)C#N

IUPAC: 4-(chloromethyl)benzonitrile

InChI: InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

Composition: C (63.39%), H (3.99%), Cl (23.38%), N (9.24%)

Molar Mass: 151.59

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.0188769
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LOQLDQJTSMKBJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.65
Topological Polar Surface Area	23.79
Polarizability	15.81
Ring Count	1
Rotatable Bond Count	1

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