Boronic acid,B-(6-bromo-2-chloro-3-ethoxyphenyl)- (957121-15-2)

The 6-Bromo-2-chloro-3-ethoxyphenylboronic acid, with cas registry number 957121-15-2, belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Bromides. It has the systematic name of (6-bromo-2-chloro-3-ethoxy-phenyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.34; (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: 1.582; (10)Molar Refractivity: 56.83 cm³; (11)Molar Volume: 170.1 cm³; (12)Polarizability: 22.53×10^-24cm³; (13)Surface Tension: 52.8 dyne/cm; (14)Enthalpy of Vaporization: 69.82 kJ/mol; (15)Vapour Pressure: 1.86E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(ccc(c1Cl)OCC)Br)(O)O
(2)InChI: InChI=1/C8H9BBrClO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
(3)InChIKey: KRYOSFPUNATDPK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H9BBrClO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
(5)Std. InChIKey: KRYOSFPUNATDPK-UHFFFAOYSA-N