The Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-, with the CAS registry number 153122-60-2, is also known as Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-. This chemical's molecular formula is C5H4BClFNO2 and molecular weight is 175.3532. Its systematic name is called (2-chloro-3-fluoro-4-pyridyl)boronic acid.
Physical properties of Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.854; (3)ACD/BCF (pH 5.5): 2.488; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 62.803; (6)ACD/KOC (pH 7.4): 3.818; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.533; (11)Molar Refractivity: 36.027 cm3; (12)Molar Volume: 116.028 cm3; (13)Surface Tension: 52.113 dyne/cm; (14)Density: 1.511 g/cm3; (15)Flash Point: 158.938 °C; (16)Enthalpy of Vaporization: 61.492 kJ/mol; (17)Boiling Point: 339.193 °C at 760 mmHg; (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
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