2-METHYL-3-FLUORO-PHENYLBORONIC ACID

The Boronic acid,B-(3-fluoro-2-methylphenyl)-, with the CAS registry number 163517-61-1, has the systematic name of (3-fluoro-2-methylphenyl)boronic acid. It belongs to the following product categories: Methoxy; Blocks; BoronicAcids; FluoroCompounds; Alkoxy; Aryl; Organoborons; Boronic acid. And it should be stored at dry and cool environment. The molecular formula of the chemical is C₇H₈BFO₂.

The characteristics of Boronic acid,B-(3-fluoro-2-methylphenyl)- are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 23.08; (6)ACD/BCF (pH 7.4): 13.93; (7)ACD/KOC (pH 5.5): 328.35; (8)ACD/KOC (pH 7.4): 198.26; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 38.02 cm³; (15)Molar Volume: 128 cm³; (16)Polarizability: 15.07×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 127.3 °C; (20)Enthalpy of Vaporization: 55.55 kJ/mol; (21)Boiling Point: 286.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0012 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(B(O)O)c1C
(2)InChI: InChI=1/C7H8BFO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
(3)InChIKey: NYBIUWJUWTUGFV-UHFFFAOYAF