Benzoic acid,2-borono-5-fluoro-, 1-methyl ester (9CI) (871329-81-6)

The 4-Fluoro-2-methoxycarbonylphenylboronic acid, with CAS registry number 871329-81-6, belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Carboxes; (4)FluoroCompounds. It has the systematic name of (4-fluoro-2-methoxycarbonyl-phenyl)boronic acid. This chemical should be kept cold.

Physical properties of 4-Fluoro-2-methoxycarbonylphenylboronic acid: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.77; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 66.76 Å²; (9)Index of Refraction: 1.513; (10)Molar Refractivity: 44.51 cm³; (11)Molar Volume: 147.8 cm³; (12)Polarizability: 17.64×10^-24cm³; (13)Surface Tension: 44.9 dyne/cm; (14)Enthalpy of Vaporization: 63.92 kJ/mol; (15)Vapour Pressure: 8.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1C(=O)OC)F)(O)O
(2)InChI: InChI=1/C8H8BFO4/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,12-13H,1H3
(3)InChIKey: OYUDJHNYSVXVNK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H8BFO4/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,12-13H,1H3
(5)Std. InChIKey: OYUDJHNYSVXVNK-UHFFFAOYSA-N