2-Bromo-6-chlorobenzoic acid (93224-85-2)

The 2-Bromo-6-chlorobenzoic acid with cas registry number of 93224-85-2 belongs to the following categories: blocks; Bromides; Carboxes; Benzoic acid; API intermediates; Acids & Esters; Bromine Compounds; Chlorine Compounds; Acids and Esters.Both its systematic name and IUPAC name are the same which is called 2-bromo-6-chlorobenzoic acid.

The physical properties about this chemical are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.621; (11)Molar Refractivity: 45.768 cm³; (12)Molar Volume: 130.098 cm3 ; (13)Surface Tension: 55.92 dyne/cm; (14)Density: 1.81 g/cm³; (15)Flash Point: 144.841 °C; (16)Enthalpy of Vaporization: 58.824 kJ/mol; (17)Boiling Point: 315.883 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)Br)C(=O)O)Cl;
(2)InChI: InChI=1/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11);
(3)InChIKey: URGXUQODOUMRFP-UHFFFAOYAR