1H-Imidazole,5-(bromomethyl)- (80733-10-4)

The 4-(Bromomethyl)imidazole with cas registry number of 80733-10-4, belongs to the following product categorie: Imidaxoles. It has the systematic name of 4-(bromomethyl)-1H-imidazole. And it is also named 1H-imidazole, 4-(bromomethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 19.54; (8)ACD/KOC (pH 7.4): 46.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 31.42 cm³; (15)Molar Volume: 90.4 cm³; (16)Polarizability: 12.45×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Enthalpy of Vaporization: 55.75 kJ/mol; (19)Vapour Pressure: 0.000207 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: BrCc1cncn1;
(2)InChI: InChI=1/C4H5BrN2/c5-1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7);
(3)InChIKey: HYFUIKONZIAHFT-UHFFFAOYAK;
(4)Std. InChI: InChI=1S/C4H5BrN2/c5-1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7);
(5)Std. InChIKey: HYFUIKONZIAHFT-UHFFFAOYSA-N