The 6-Amino-3-bromo (1H)indazole, with the CAS registry number 52347-72-5, is also known as 1H-indazol-6-amine, 3-bromo-. Its molecular formula is C7H6BrN3 and its IUPAC name is 3-bromo-2H-indazol-6-amine. Additionally, it belongs to the product category Chiral Chemicals.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.484; (3)ACD/LogD (pH 7.4): 1.484; (4)ACD/BCF (pH 5.5): 7.899; (5)ACD/BCF (pH 7.4): 7.907; (6)ACD/KOC (pH 5.5): 152.757; (7)ACD/KOC (pH 7.4): 152.901; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.7 Å2; (12)Index of Refraction: 1.8; (13)Molar Refractivity: 48.546 cm3; (14)Molar Volume: 113.56 cm3; (15)Polarizability: 19.245x10-24cm3; (16)Surface Tension: 81.483 dyne/cm; (17)Density: 1.867 g/cm3; (18)Flash Point: 214.668 °C; (19)Enthalpy of Vaporization: 68.695 kJ/mol; (20)Boiling Point: 431.342 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N)[nH]nc2Br
(2)InChI: InChI=1/C7H6BrN3/c8-7-5-2-1-4(9)3-6(5)10-11-7/h1-3H,9H2,(H,10,11)
(3)InChIKey: JEIJITFZLLQUCT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6BrN3/c8-7-5-2-1-4(9)3-6(5)10-11-7/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey: JEIJITFZLLQUCT-UHFFFAOYSA-N
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