The (5-Trifluoromethylpyridin-3-yl)boronic acid is an organic compound with the formula C6H5BF3NO2. The systematic name of this chemical is [5-(trifluoromethyl)-3-pyridyl]boronic acid. With the CAS registry number 947533-51-9, it is also named as 3-trifluoromethyl-5-pyridyl boronic acid.
Physical properties about (5-Trifluoromethylpyridin-3-yl)boronic acid are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.11 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Index of Refraction: 1.457; (8)Molar Refractivity: 36.07 cm3; (9)Molar Volume: 132.2 cm3; (10)Polarizability: 14.3×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.44 g/cm3; (13)Flash Point: 135.2 °C; (14)Enthalpy of Vaporization: 57.02 kJ/mol; (15)Boiling Point: 299.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000516 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)C(F)(F)F)(O)O
(2)InChI: InChI=1/C6H5BF3NO2/c8-6(9,10)4-1-5(7(12)13)3-11-2-4/h1-3,12-13H
(3)InChIKey: SFBQNNGMEKUJAN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-5(7(12)13)3-11-2-4/h1-3,12-13H
(5)Std. InChIKey: SFBQNNGMEKUJAN-UHFFFAOYSA-N
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