1H-Benzimidazole-2-carboxaldehyde,4-bromo-1-methyl- (958863-76-8)

The 4-Bromo-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde with cas registry number of 958863-76-8, has the systematic name of 4-bromo-1-methyl-benzimidazole-2-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.245; (4)ACD/LogD (pH 7.4): 2.245; (5)ACD/BCF (pH 5.5): 29.944; (6)ACD/BCF (pH 7.4): 29.957; (7)ACD/KOC (pH 5.5): 396.553; (8)ACD/KOC (pH 7.4): 396.725; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm³; (15)Molar Volume: 144.872 cm³; (16)Polarizability: 21.469×10^-24cm³; (17)Surface Tension: 51.355 dyne/cm; (18)Enthalpy of Vaporization: 63.845 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2cccc(c2nc1C=O)Br;
(2)InChI: InChI=1/C9H7BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3;
(3)InChIKey: ASNYHGBIYZZGDU-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3;
(5)Std. InChIKey: ASNYHGBIYZZGDU-UHFFFAOYSA-N