1H-Indazole,7-bromo-1-methyl- (1000576-59-9)

The 7-Bromo-1-methylindazole, with cas registry number 1000576-59-9, belongs to the following product categories: (1)Indazole; (2)Organohalides. It has the systematic name of 7-bromo-1-methyl-1H-indazole. And its IUPAC name is 7-bromo-1-methylindazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.57; (6)ACD/BCF (pH 7.4): 66.57; (7)ACD/KOC (pH 5.5): 702.61; (8)ACD/KOC (pH 7.4): 702.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 48.69 cm³; (15)Molar Volume: 131.3 cm³; (16)Polarizability: 19.3×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 51.18 kJ/mol; (19)Vapour Pressure: 0.00299 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cccc2cnn(C)c12
(2)InChI: InChI=1/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
(3)InChIKey: JPFIGGYULRKROG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
(5)Std. InChIKey: JPFIGGYULRKROG-UHFFFAOYSA-N