4-Bromo-2-methylbenzimidazole (20223-87-4)

The 4-Bromo-2-methylbenzimidazole is an organic compound with the formula C₈H₇BrN₂. The systematic name of this chemical is 6-bromo-2-methyl-1H-benzimidazole. With the CAS registry number 20223-87-4, it is also named as 1H-benzimidazole, 5-bromo-2-methyl-.

Physical properties about 4-Bromo-2-methylbenzimidazole are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 21.67; (5)ACD/BCF (pH 7.4): 35.45; (6)ACD/KOC (pH 5.5): 272.99; (7)ACD/KOC (pH 7.4): 446.45; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 49.13 cm³; (13)Molar Volume: 127.5 cm³; (14)Polarizability: 19.47×10^-24cm³; (15)Surface Tension: 58.6 dyne/cm; (16)Density: 1.654 g/cm³; (17)Flash Point: 194.1 °C; (18)Enthalpy of Vaporization: 62.25 kJ/mol; (19)Boiling Point: 397.3 °C at 760 mmHg; (20)Vapour Pressure: 3.66E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(nc(n1)C)cc2
(2)InChI: InChI=1/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: FHDFUQGJYYGLHJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: FHDFUQGJYYGLHJ-UHFFFAOYSA-NS14:Keep away from ... (a list of incompatible materials will follow).