Benzoic acid,2-[4-chloro-3-(chlorosulfonyl)benzoyl]- (68592-12-1)

The cas register number of 2-[4-Chloro-3-(chlorosulfonyl)benzoyl]benzoic acid is 68592-12-1. It also can be called as 5-(2-Carboxybenzoyl)-2-chlorobenzenesulfonyl chloride and the IUPAC Name about this chemical is 2-(4-chloro-3-chlorosulfonylbenzoyl)benzoic acid.

Physical properties about  are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): -0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 85.89 Ų; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 80.95 cm³; (14)Molar Volume: 228.6 cm³; (15)Polarizability: 32.09x10^-24cm³; (16)Surface Tension: 60.2 dyne/cm; (17)Enthalpy of Vaporization: 91.86 kJ/mol; (18)Vapour Pressure: 1.67E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O
(2)InChI: InChI=1/C14H8Cl2O5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
(3)InChIKey: PYSORILUZXWKON-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H8Cl2O5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
(5)Std. InChIKey: PYSORILUZXWKON-UHFFFAOYSA-N