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86156-94-7

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Basic Information
CAS No.: 86156-94-7
Name: 3-Fluoro-4-nitrobenzenesulfonic acid
Molecular Structure:
Molecular Structure of 86156-94-7 (3-Fluoro-4-nitrobenzenesulfonic acid)
Formula: C6H4FNO5S
Molecular Weight: 221.16
Synonyms: 3-Fluoro-4-nitrobenzenesulfonic acid;
Density: 1.724 g/cm3
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Specification

The 3-Fluoro-4-nitrobenzenesulfonic acid with its cas register number is 86156-94-7. It also can be called as Benzenesulfonic acid,3-fluoro-4-nitro- and the Systematic name about this chemical is benzenesulfonic acid, 3-fluoro-4-nitro-.

Physical properties about 3-Fluoro-4-nitrobenzenesulfonic acid are: (1)ACD/LogP: 0.78 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 108.57Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 43.24 cm3; (12)Molar Volume: 128.2 cm3; (13)Polarizability: 17.14x10-24cm3; (14)Surface Tension: 65.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1S(=O)(=O)O)F)[N+](=O)[O-]
(2)InChI: InChI=1/C6H4FNO5S/c7-5-3-4(14(11,12)13)1-2-6(5)8(9)10/h1-3H,(H,11,12,13)
(3)InChIKey: QHCAHAXGOGJVLY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H4FNO5S/c7-5-3-4(14(11,12)13)1-2-6(5)8(9)10/h1-3H,(H,11,12,13)
(5)Std. InChIKey: QHCAHAXGOGJVLY-UHFFFAOYSA-N