3-Fluoro-6-nitrobenzenesulfonic acid (82711-99-7)

The 3-Fluoro-6-nitrobenzenesulfonic acid, with cas registry number 82711-99-7, has the systematic name of benzenesulfonic acid, 5-fluoro-2-nitro-. And it is also called 5-Fluoro-2-nitrobenzenesulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.71; (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: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 108.57 Å²; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 43.24 cm³; (13)Molar Volume: 128.2 cm³; (14)Polarizability: 17.14×10^-24cm³; (15)Surface Tension: 65.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1F)S(=O)(=O)O)[N+](=O)[O-]
(2)InChI: InChI=1/C6H4FNO5S/c7-4-1-2-5(8(9)10)6(3-4)14(11,12)13/h1-3H,(H,11,12,13)
(3)InChIKey: KPWHHDVNRKIFRI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H4FNO5S/c7-4-1-2-5(8(9)10)6(3-4)14(11,12)13/h1-3H,(H,11,12,13)
(5)Std. InChIKey: KPWHHDVNRKIFRI-UHFFFAOYSA-N