Boronic acid,B-[5-(aminocarbonyl)-2-fluorophenyl]- (874289-39-1)

The 5-Carbamoyl-2-fluorobenzeneboronic acid, with the CAS registry number 874289-39-1, has the systematic name of (5-carbamoyl-2-fluoro-phenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids, and the chemical should keep cold. The molecular formula of the chemical is C₇H₇BFNO₃.

The characteristics of 5-Carbamoyl-2-fluorobenzeneboronic acid are as followings: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.07 ; (5)#H bond acceptors: 4; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 83.55 Å²; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 41.76 cm³; (11)Molar Volume: 128.9 cm³; (12)Polarizability: 16.55×10^-24cm³; (13)Surface Tension: 55.6 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 176.9 °C; (16)Enthalpy of Vaporization: 64.95 kJ/mol; (17)Boiling Point: 369 °C at 760 mmHg; (18)Vapour Pressure: 4.28E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(ccc1F)C(=O)N)(O)O
(2)InChI: InChI=1/C7H7BFNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
(3)InChIKey: NDVPMVJEURRBQM-UHFFFAOYAS