5-Fluoro-2-(trifluoromethyl)phenylboronic acid (928053-97-8)

The 5-Fluoro-2-(trifluoromethyl)phenylboronic acid with the CAS number 928053-97-8 is also called boronic acid, B-[5-fluoro-2-(trifluoromethyl)phenyl]-. Its molecular formula is C₇H₅BF₄O₂. This chemical belongs to the following product categories: (1)Aryl; (2)Organoborons. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 1.83 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46Ų; (9)Index of Refraction: 1.445; (10)Molar Refractivity: 38.39 cm³; (11)Molar Volume: 144 cm³; (12)Polarizability: 15.21×10^-24cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Enthalpy of Vaporization: 53.84 kJ/mol; (15)Vapour Pressure: 0.00316 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(F)ccc1C(F)(F)F
(2)InChI: InChI=1/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
(3)InChIKey: LBDUHXAQWUKBEB-UHFFFAOYAA