Boronic acid,B-(6-bromo-3-ethoxy-2-fluorophenyl)- (871126-14-6)

This chemical is called 2-Fluoro-3-ethoxy-6-bromophenylboronic acid, and its systematic name is (6-bromo-3-ethoxy-2-fluoro-phenyl)boronic acid. With the molecular formula of C₈H₉BBrFO₃, its molecular weight is 262.87. In addition, the CAS registry number of this chemical is 871126-14-6, and its product categories are Blocks; BoronicAcids; Bromides.

Other characteristics of the 2-Fluoro-3-ethoxy-6-bromophenylboronic acid can be summarised as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 2.87; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 49.69 Å²; (9)Index of Refraction: 1.549; (10)Molar Refractivity: 52.11 cm³; (11)Molar Volume: 163.7 cm³; (12)Polarizability: 20.66×10^-24cm³; (13)Surface Tension: 47 dyne/cm; (14)Density: 1.6 g/cm³; (15)Flash Point: 187.5 °C; (16)Enthalpy of Vaporization: 67.02 kJ/mol; (17)Boiling Point: 386.4 °C at 760 mmHg; (18)Vapour Pressure: 1.16E-06 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
(1)SMILES: B(c1c(ccc(c1F)OCC)Br)(O)O
(2)InChI: InChI=1/C8H9BBrFO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
(3)InChIKey: GCNQUSXPZGIAQM-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H9BBrFO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
(5)Std. InChIKey: GCNQUSXPZGIAQM-UHFFFAOYSA-N