4-Bromo-6-chloro-7-azaindole (942920-50-5)

The 4-Bromo-6-chloro-7-azaindole with the cas number 942920-50-5 is also called 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro-. The systematic name is 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine. Its molecular formula is C₇H₄BrClN₂. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68 Å²; (9)Index of Refraction: 1.73; (10)Molar Refractivity: 49.2 cm³; (11)Molar Volume: 123.2 cm³; (12)Polarizability: 19.5×10^-24cm³; (13)Surface Tension: 65.9 dyne/cm ; (14)Enthalpy of Vaporization: 58.15 kJ/mol; (15)Vapour Pressure: 4.82×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1c(cc(n2)Cl)Br
(2)InChI: InChI=1/C7H4BrClN2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)
(3)InChIKey: OATRMIWUNLJMJV-UHFFFAOYAI