1-Naphthalenesulfonylchloride, 4-bromo- (63279-36-7)

The 4-Bromo-1-naphthalenesulfonyl chloride with cas registry number of 63279-36-7, has the systematic name of 4-bromonaphthalene-1-sulfonyl chloride. And it is also named 1-Naphthalenesulfonyl chloride, 4-bromo-.

Physical properties about this chemical are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1002.89; (6)ACD/BCF (pH 7.4): 1002.89; (7)ACD/KOC (pH 5.5): 4896.63; (8)ACD/KOC (pH 7.4): 4896.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 65.67 cm³; (15)Molar Volume: 176.3 cm³; (16)Polarizability: 26.03×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Enthalpy of Vaporization: 59.54 kJ/mol; (19)Vapour Pressure: 2.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: ClS(=O)(=O)c2c1ccccc1c(Br)cc2;
(2)InChI: InChI=1/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H;
(3)InChIKey: MNBFYZPSEJKTFA-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H;
(5)Std. InChIKey: MNBFYZPSEJKTFA-UHFFFAOYSA-N