Boronic acid,B-(1-methyl-1H-indazol-6-yl)- (1150114-80-9)

The 1-Methylindazole-6-boronic acid with the CAS number 1150114-80-9 is also called Boronic acid,B-(1-methyl-1H-indazol-6-yl)-. Its molecular formula is C₈H₉BN₂O₂. This chemical belongs to the following product categories: (1)Indazole; (2)Organoborons.

The properties of the 1-Methylindazole-6-boronic acid are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.2; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 58.28Ų; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 47.67 cm³; (11)Molar Volume: 138.4 cm³; (12)Polarizability: 18.9×10^-24cm³; (13)Surface Tension: 47.6 dyne/cm; (14)Enthalpy of Vaporization: 68.33 kJ/mol; (15)Vapour Pressure: 4.96×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc2cnn(C)c2c1
(2)InChI: InChI=1/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
(3)InChIKey: OMVQAWCHQBKZCF-UHFFFAOYAY