4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID

The Boronic acid,B-[4-fluoro-3-(trifluoromethyl)phenyl]-, with the CAS registry number 182344-23-6, is also known as 3-Trifluoromethyl-4-fluoro-phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Fluoro Compounds. This chemical's molecular formula is C₇H₅BF₄O₂ and molecular weight is 207.918013. Its IUPAC name is called [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.

Physical properties of Boronic acid,B-[4-fluoro-3-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 29; (5)ACD/BCF (pH 7.4): 19; (6)ACD/KOC (pH 5.5): 389; (7)ACD/KOC (pH 7.4): 249; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 38.391 cm³; (13)Molar Volume: 144.089 cm³; (14)Surface Tension: 31.386 dyne/cm; (15)Density: 1.443 g/cm³; (16)Flash Point: 116.28 °C; (17)Enthalpy of Vaporization: 53.533 kJ/mol; (18)Boiling Point: 268.656 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=C(C=C1)F)C(F)(F)F)(O)O
(2)InChI: InChI=1S/C7H5BF4O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H
(3)InChIKey: GUJYFCBXDUPORN-UHFFFAOYSA-N