1,3,2-Dioxaborolane,2-[2-(bromomethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl- (850567-57-6)

The 2-Bromomethyl-4-fluorophenylboronic acid pinacol ester, with the CAS registry number 850567-57-6, is also known as 2-(Bromomethyl)-4-fluorobenzeneboronic acid, pinacol ester 95% . It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C₁₃H₁₇BBrFO₂and formula weight is 314.99. What's more, its systematic name is called 2-[2-(bromomethyl)-4-fluoro-phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Physical properties about 2-Bromomethyl-4-fluorophenylboronic acid pinacol ester are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 18.46 Å²; (5)Index of Refraction: 1.513; (6)Molar Refractivity: 71.92 cm³; (7)Molar Volume: 239.1 cm³; (8)Surface Tension: 34.6 dyne/cm; (9)Density: 1.31 g/cm³; (10)Flash Point: 166.9 °C; (11)Enthalpy of Vaporization: 57.37 kJ/mol; (12)Boiling Point: 352.4 °C at 760 mmHg; (13)Vapour Pressure: 7.81E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2CBr)F
(2)InChI: InChI=1/C13H17BBrFO2/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(16)7-9(11)8-15/h5-7H,8H2,1-4H3
(3)InChIKey: SFRDMJLPJZYEJB-UHFFFAOYAJ