2-(2-chlorophenyl)propanenitrile

2-(2-chlorophenyl)propanenitrile

CAS: 75920-46-6

Formula: C9H8ClN

SMILES: CC(C#N)C1=CC=CC=C1Cl

IUPAC: 2-(2-chlorophenyl)propanenitrile

InChI: InChI=1/C9H8ClN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5,7H,1H3

Composition: C (65.27%), H (4.87%), Cl (21.40%), N (8.46%)

Molar Mass: 165.62

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	165.034527
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XOMXWBCHMZFRQX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.72
Topological Polar Surface Area	23.79
Polarizability	17.55
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	75920-46-6		$52.79-$876.65$52.79$85.91$194.58$610.65$876.65