1,3,2-Dioxaborinane,2-[2-(bromomethyl)-4-fluorophenyl]-5,5-dimethyl- (673456-16-1)

The CAS register number of 2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester is 673456-16-1. It also can be called as 1,3,2-Dioxaborinane,2-[2-(bromomethyl)-4-fluorophenyl]-5,5-dimethyl- and the systematic name about this chemical is 2-[2-(bromomethyl)-4-fluoro-phenyl]-5,5-dimethyl-1,3,2-dioxaborinane. The molecular formula about this chemical is C₁₂H₁₅BBrFO₂ and molecular weight is 300.96. It belongs to the following product categories, such as Blocks; BoronicAcids; Bromides; FluoroCompounds and so on.

Physical properties about 2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 18.46Ų; (4)Index of Refraction: 1.516; (5)Molar Refractivity: 67.28 cm³; (6)Molar Volume: 222.4 cm³; (7)Polarizability: 26.67x10^-24cm³; (8)Surface Tension: 35.7 dyne/cm; (9)Enthalpy of Vaporization: 58.11 kJ/mol; (10)Boiling Point: 359.3 °C at 760 mmHg; (11)Vapour Pressure: 4.95E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OCC(CO1)(C)C)c2ccc(cc2CBr)F
(2)InChI: InChI=1/C12H15BBrFO2/c1-12(2)7-16-13(17-8-12)11-4-3-10(15)5-9(11)6-14/h3-5H,6-8H2,1-2H3
(3)InChIKey: DQRRGFNBYBOFHI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H15BBrFO2/c1-12(2)7-16-13(17-8-12)11-4-3-10(15)5-9(11)6-14/h3-5H,6-8H2,1-2H3
(5)Std. InChIKey: DQRRGFNBYBOFHI-UHFFFAOYSA-N