9H-Purine, 2,6-dibromo- (1196-41-4)

The 2,6-Dibromopurine, with cas registry number 1196-41-4, belongs to the following product categories: Purines. Its systematic name and its IUPAC name are the same, which is 2,6-dibromo-7H-purine. Besides this, it is also called 9H-purine, 2,6-dibromo-. What's more, its EINECS is 214-814-0.

Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 84.15; (8)ACD/KOC (pH 7.4): 28.95; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 48.18 cm³; (15)Molar Volume: 113.9 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 93.4 dyne/cm; (18)Enthalpy of Vaporization: 84.76 kJ/mol; (19)Vapour Pressure: 2.89E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1nc(Br)nc2ncnc12
(2)InChI: InChI=1/C5H2Br2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
(3)InChIKey: YPFDNCJJFMAZPJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H2Br2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
(5)Std. InChIKey: YPFDNCJJFMAZPJ-UHFFFAOYSA-N