Benzonitrile,4-chloro-2-(trifluoromethyl)- (320-41-2)

The 4-Chloro-2-(trifluoromethyl)benzonitrile with cas registry number of 320-41-2 is a kind of Fluorobenzene compounds. Both its systematic name and IUPAC name are the same which is called 4-chloro-2-(trifluoromethyl)benzonitrile.

The physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 211.46; (6)ACD/BCF (pH 7.4): 211.46; (7)ACD/KOC (pH 5.5): 1606.95; (8)ACD/KOC (pH 7.4): 1606.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 41.13 cm³; (14)Molar Volume: 143.5 cm³; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.43 g/cm³; (17)Flash Point: 87.5 °C; (18)Enthalpy of Vaporization: 45.75 kJ/mol; (19)Boiling Point: 221 °C at 760 mmHg; (20)Vapour Pressure: 0.109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cc(Cl)cc1)C(F)(F)F;
(2)InChI: InChI=1/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H;
(3)InChIKey: GRNQHTXPUDZMGB-UHFFFAOYAE