1H-Indazole,5-bromo-6-methoxy- (152626-78-3)

The 5-Bromo-6-methoxy-1H-indazole, with cas registry number 152626-78-3, has the systematic name of 5-bromo-6-methoxy-1H-indazole. And its IUPAC name is the same one. Besides this, it is also called 1H-Indazole, 5-bromo-6-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.37; (6)ACD/BCF (pH 7.4): 33.37; (7)ACD/KOC (pH 5.5): 428.59; (8)ACD/KOC (pH 7.4): 428.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.91 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 50.98 cm³; (15)Molar Volume: 135.2 cm³; (16)Polarizability: 20.21×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Enthalpy of Vaporization: 58.55 kJ/mol; (19)Vapour Pressure: 3.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cc2cnnc2cc1OC
(2)InChI: InChI=1/C8H7BrN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: WTPPKDNNECOBGC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7BrN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: WTPPKDNNECOBGC-UHFFFAOYSA-N