2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile

2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile

CAS: 261762-95-2

Formula: C9H7ClFN

SMILES: CC1=CC=C(Cl)C(CC#N)=C1F

IUPAC: 2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile

InChI: InChI=1S/C9H7ClFN/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4H2,1H3

Composition: C (58.87%), H (3.84%), Cl (19.31%), F (10.35%), N (7.63%)

Molar Mass: 183.61

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.0251051
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CLBCEUZXYYSRHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.41
Topological Polar Surface Area	23.79
Polarizability	17.2
Ring Count	1
Rotatable Bond Count	1

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97%	<2 Days	261762-95-2		$51.35-$180.26$51.35$63.37$86.31$180.26