The formula of 6-Bromo-1-methyl-1H-indazol-3-amine is C8H8BrN3. The IUPAC name of this chemical is 6-Bromo-1-methyl-1H-indazol-3-amine. With the CAS registry number 1214899-85-0, it is also named as 1H-Indazol-3-amine, 6-bromo-1-methyl-. In addition, the molecular weight is 226.07.
Physical properties about 6-Bromo-1-methyl-1H-indazol-3-amine are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.423; (4)ACD/LogD (pH 7.4): 1.424; (5)ACD/BCF (pH 5.5): 7.091; (6)ACD/BCF (pH 7.4): 7.12; (7)ACD/KOC (pH 5.5): 141.265; (8)ACD/KOC (pH 7.4): 141.846; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 50.608 cm3; (14)Molar Volume: 128.224 cm3; (15)Surface Tension: 55.961 dyne/cm; (16)Density: 1.763 g/cm3; (17)Flash Point: 182.676 °C; (18)Enthalpy of Vaporization: 62.634 kJ/mol; (19)Boiling Point: 378.443 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2cc(ccc2c(n1)N)Br
(2)InChI: InChI=1/C8H8BrN3/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
(3)InChIKey: SJCNMXPRXAGVMK-UHFFFAOYAU
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