4-Chloro-2,6-difluorophenylacetic acid (537033-55-9)

The 4-Chloro-2,6-difluorophenylacetic acid with the CAS number 537033-55-9 is also called Benzeneacetic acid, 4-chloro-2,6-difluoro-. Its molecular formula is C₈H₅ClF₂O₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.24 cm³; (15)Molar Volume: 137.2 cm³; (16)Polarizability: 16.74×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Enthalpy of Vaporization: 54.08 kJ/mol; (19)Vapour Pressure: 0.00276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(Cl)c1)CC(=O)O
(2)InChI: InChI=1/C8H5ClF2O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)
(3)InChIKey: LITZKYPXFPYSOE-UHFFFAOYAY