Boronic acid,B-(4-hydroxy-3-nitrophenyl)- (850568-75-1)

The 4-Hydroxy-3-nitrophenylboronic acid, with the CAS registry number 850568-75-1, is also called boronic acid, B-(4-hydroxy-3-nitrophenyl)-. It is a kind of irritant chemical, and should keep cold. The molecular formula of the chemical is C₆H₆BNO₅.

The characteristics of 4-Hydroxy-3-nitrophenylboronic acid are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)#H bond acceptors: 6; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 106.51 Å²; (8)Index of Refraction: 1.619; (9)Molar Refractivity: 40.85 cm³; (10)Molar Volume: 116.3 cm³; (11)Polarizability: 16.19×10^-24cm³; (12)Surface Tension: 76.3 dyne/cm; (13)Density: 1.57 g/cm³; (14)Flash Point: 181.3 °C; (15)Enthalpy of Vaporization: 65.81 kJ/mol; (16)Boiling Point: 376.2 °C at 760 mmHg; (17)Vapour Pressure: 2.49E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1ccc(c(c1)[N+](=O)[O-])O)(O)O
(2)InChI: B(c1ccc(c(c1)[N+](=O)[O-])O)(O)O
(3)InChIKey: GEQDFOXXEZKEPZ-UHFFFAOYAK