1H-Indazol-3-amine,6-bromo- (404827-77-6)

The 6-Bromo-1H-indazol-3-amine is an organic compound with the formula C₇H₆BrN₃. The IUPAC name of this chemical is 6-bromo-1H-indazol-3-amine. With the CAS registry number 404827-77-6, it is also named as 1H-Indazol-3-amine, 6-bromo-. The product's categories are Amines; Chiral Chemicals; Fused Ring Systems; Building Blocks; Indazole.

Physical properties about 6-Bromo-1H-indazol-3-amine are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.286; (3)ACD/LogD (pH 7.4): 2.287; (4)ACD/BCF (pH 5.5): 32.147; (5)ACD/BCF (pH 7.4): 32.225; (6)ACD/KOC (pH 5.5): 416.988; (7)ACD/KOC (pH 7.4): 417.998; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)Polar Surface Area: 54.7 Å²; (11)Index of Refraction: 1.8; (12)Molar Refractivity: 48.546 cm³; (13)Molar Volume: 113.56 cm³; (14)Polarizability: 19.245×10^-24cm³; (15)Surface Tension: 81.483 dyne/cm; (16)Density: 1.867 g/cm³; (17)Flash Point: 214.668 °C; (18)Enthalpy of Vaporization: 68.695 kJ/mol; (19)Boiling Point: 431.342 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)[nH]nc2N
(2)InChI: InChI=1/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
(3)InChIKey: WLDHNAMVDBASAW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
(5)Std. InChIKey: WLDHNAMVDBASAW-UHFFFAOYSA-N