Boronic acid,B-(6-bromo-2-fluoro-3-methoxyphenyl)- (871126-17-9)

The 2-Fluoro-3-methoxy-6-bromophenylboronic acid with the cas number 871126-17-9 is also called Boronic acid,B-(6-bromo-2-fluoro-3-methoxyphenyl)-. The systematic name is (6-bromo-2-fluoro-3-methoxy-phenyl)boronic acid. Its molecular formula is C₇H₇BBrFO₃. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Bromides.

The properties of the chemical are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.32; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 49.69 Å²; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 47.48 cm³; (11)Molar Volume: 147.3 cm³; (12)Polarizability: 18.82×10^-24cm³; (13)Surface Tension: 48.4 dyne/cm; (14)Enthalpy of Vaporization: 66.15 kJ/mol; (15)Vapour Pressure: 2.02×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(ccc(c1F)OC)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: NUWSIUDCKHWOJN-UHFFFAOYAM