1H-Indazole,5-bromo-3,7-dimethyl- (1031417-71-6)

The 5-Bromo-3,7-dimethyl-1H-indazole, with the CAS registry number 1031417-71-6, is also known as 1H-Indazole, 5-bromo-3,7-dimethyl-. This chemical's molecular formula is C₉H₉BrN₂ and molecular weight is 225.09. Its systematic name is called 5-bromo-3,7-dimethyl-1H-indazole.

Physical properties about this chemical are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.79; (6)ACD/BCF (pH 7.4): 274.8; (7)ACD/KOC (pH 5.5): 1938.34; (8)ACD/KOC (pH 7.4): 1938.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 53.95 cm³; (14)Molar Volume: 143.8 cm³; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.564 g/cm³; (17)Flash Point: 169.8 °C; (18)Enthalpy of Vaporization: 57.88 kJ/mol; (19)Boiling Point: 357.2 °C at 760 mmHg; (20)Vapour Pressure: 5.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc2c1[nH]nc2C)Br
(2)InChI: InChI=1/C9H9BrN2/c1-5-3-7(10)4-8-6(2)11-12-9(5)8/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: XQNOSHGIULZYET-UHFFFAOYAN