Benzeneacetonitrile,3-chloro-4-fluoro- (658-98-0)

The 3-Chloro-4-fluorophenylacetonitrile with its cas register number is 658-98-0. It also can be called as 3-Chloro-4-fluorobenzyl cyanide and the Systematic name about this chemical is (3-chloro-4-fluorophenyl)acetonitrile.

Physical properties about 3-Chloro-4-fluorophenylacetonitrile are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 27.92; (5)ACD/BCF (pH 7.4): 27.92; (6)ACD/KOC (pH 5.5): 377.2; (7)ACD/KOC (pH 7.4): 377.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 40.6 cm³; (13)Molar Volume: 131.7 cm³; (14)Polarizability: 16.09x10^-24cm³; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 49.98 kJ/mol; (17)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1Cl)CC#N
(2)InChI: InChI=1/C8H5ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
(3)InChIKey: GAUHFGRZXPVMQD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H5ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
(5)Std. InChIKey: GAUHFGRZXPVMQD-UHFFFAOYSA-N