Benzonitrile,2,4-dichloro-3-fluoro- (161612-68-6)

The 2,4-Dichloro-3-fluorobenzonitrile, with cas registry number 161612-68-6, has the systematic name of 2,4-dichloro-3-fluorobenzonitrile. And it is also called benzonitrile, 2,4-dichloro-3-fluoro-.

Physical properties about this chemical are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 79.04; (6)ACD/BCF (pH 7.4): 79.04; (7)ACD/KOC (pH 5.5): 794.51; (8)ACD/KOC (pH 7.4): 794.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 41.08 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 16.28×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Enthalpy of Vaporization: 50.08 kJ/mol; (19)Vapour Pressure: 0.0106 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1c(ccc(Cl)c1F)C#N
(2)InChI: InChI=1/C7H2Cl2FN/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
(3)InChIKey: QWGPQHZYZNHITN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H2Cl2FN/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
(5)Std. InChIKey: QWGPQHZYZNHITN-UHFFFAOYSA-N