2-[4-chloro-2-(trifluoromethyl)phenyl]acetonitrile

2-[4-chloro-2-(trifluoromethyl)phenyl]acetonitrile

CAS: 85386-80-7

Formula: C9H5ClF3N

SMILES: FC(F)(F)C1=C(CC#N)C=CC(Cl)=C1

IUPAC: 2-[4-chloro-2-(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C9H5ClF3N/c10-7-2-1-6(3-4-14)8(5-7)9(11,12)13/h1-2,5H,3H2

Composition: C (49.23%), H (2.30%), Cl (16.14%), F (25.96%), N (6.38%)

Molar Mass: 219.59

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.0062614
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MLJVBFZNPNMMCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.12
Topological Polar Surface Area	23.79
Polarizability	17.01
Ring Count	1
Rotatable Bond Count	2

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