Benzothiazole,4-bromo-2-chloro- (182344-57-6)

The 2-Chloro-4-bromobenzothiazole, with the CAS registry number 182344-57-6, is also known as 4-Bromo-2-chlorobenzothiazole. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₇H₃BrClNS and molecular weight is 248.53. Its systematic name is called 4-bromo-2-chloro-1,3-benzothiazole.

Physical properties about 2-Chloro-4-bromobenzothiazole are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 893.37; (6)ACD/BCF (pH 7.4): 893.37; (7)ACD/KOC (pH 5.5): 4507.64; (8)ACD/KOC (pH 7.4): 4507.64; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 53.15 cm³; (15)Molar Volume: 134.3 cm³; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.849 g/cm³; (18)Flash Point: 140.8 °C; (19)Enthalpy of Vaporization: 52.8 kJ/mol; (20)Boiling Point: 309.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1sc(Cl)nc12
(2)InChI: InChI=1/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
(3)InChIKey: HWPFBBVUHHRYMR-UHFFFAOYAX