2-Chloro-3-fluoropyridine-4-boronic acid (937595-71-6)

The 2-Chloro-3-fluoropyridine-4-boronic acid with cas registry number of 937595-71-6, belongs to the following product categories: (1)Boronic Acid; (2)Organoborons; (3)Pyridine. Its systematic name and its IUPAC name are the same one, which is (2-chloro-3-fluoro-4-pyridyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.854; (4)ACD/BCF (pH 5.5): 2.488; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 62.803; (7)ACD/KOC (pH 7.4): 3.818; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å²; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 36.027 cm³; (14)Molar Volume: 116.028 cm³; (15)Polarizability: 14.282×10^-24cm³; (16)Surface Tension: 52.113 dyne/cm; (17)Enthalpy of Vaporization: 61.492 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: B(c1ccnc(c1F)Cl)(O)O;
(2)InChI: InChI=1/C5H4BClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2,10-11H;
(3)InChIKey: ZXGCWGYBIXCFMP-UHFFFAOYAT;
(4)Std. InChI: InChI=1S/C5H4BClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2,10-11H;
(5)Std. InChIKey: ZXGCWGYBIXCFMP-UHFFFAOYSA-N