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The 2-Methyl-3-(trifluoromethyl)phenylboronic acid is an organic compound with the formula C8H8BF3O2. The systematic name of this chemical is [2-methyl-3-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 947533-86-0, it is also named as boronic acid, B-[2-methyl-3-(trifluoromethyl)phenyl]-.
Physical properties about 2-Methyl-3-(trifluoromethyl)phenylboronic acid are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.42; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 40.46 Å2; (8)Index of Refraction: 1.464; (9)Molar Refractivity: 42.9 cm3; (10)Molar Volume: 155.3 cm3; (11)Polarizability: 17×10-24cm3; (12)Surface Tension: 32.9 dyne/cm; (13)Density: 1.31 g/cm3; (14)Flash Point: 124.7 °C; (15)Enthalpy of Vaporization: 55.08 kJ/mol; (16)Boiling Point: 282.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1C)C(F)(F)F)(O)O
(2)InChI: InChI=1/C8H8BF3O2/c1-5-6(8(10,11)12)3-2-4-7(5)9(13)14/h2-4,13-14H,1H3
(3)InChIKey: GCYGREFYJFYOII-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H8BF3O2/c1-5-6(8(10,11)12)3-2-4-7(5)9(13)14/h2-4,13-14H,1H3
(5)Std. InChIKey: GCYGREFYJFYOII-UHFFFAOYSA-N