3-chloro-2-methylbenzonitrile

3-chloro-2-methylbenzonitrile

CAS: 54454-12-5

Formula: C8H6ClN

SMILES: CC1=C(Cl)C=CC=C1C#N

IUPAC: 3-chloro-2-methylbenzonitrile

InChI: InChI=1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3

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	FKFZTNLSUJCIMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.63
Topological Polar Surface Area	23.79
Polarizability	15.79
Ring Count	1
Rotatable Bond Count	0

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