4-Acetyl-3-fluorophenylboronic acid (481725-35-3)

The CAS register number of 4-Acetyl-3-fluorophenylboronic acid is 481725-35-3. It also can be called as B-(4-acetyl-3-fluorophenyl)- and the systematic name about this chemical is (4-acetyl-3-fluorophenyl)boronic acid. It belongs to the Boronic acid.

Physical properties about 4-Acetyl-3-fluorophenylboronic acid are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 50; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.53Ų; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 42.771 cm³; (13)Molar Volume: 141.615 cm³; (14)Polarizability: 16.956x10^-24cm³; (15)Surface Tension: 42.968 dyne/cm; (16)Enthalpy of Vaporization: 63.262 kJ/mol; (17)Boiling Point: 354.471 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(cc1F)B(O)O
(2)InChI: InChI=1/C8H8BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-4,12-13H,1H3
(3)InChIKey: YHEPWJRNHLTYSL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-4,12-13H,1H3
(5)Std. InChIKey: YHEPWJRNHLTYSL-UHFFFAOYSA-N