CAS No.63113-57-5,3-phenylsulphonylbenzenesulphonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63113-57-5
Name:	3-phenylsulphonylbenzenesulphonic acid
Article Data:	6

Formula:	C₁₂H₁₀O₅S₂
Molecular Weight:	298.34
Synonyms:	Benzenesulfonicacid, m-(phenylsulfonyl)- (6CI,7CI);m-Phenylsulfonylbenzenesulfonic acid;
EINECS:	263-863-4
Density:	1.487 g/cm³
PSA:	105.27000
LogP:	3.92770

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Specification

The CAS registry number of Benzenesulfonic acid,3-(phenylsulfonyl)- is 63113-57-5. This chemical is also named as m-Phenylsulfonylbenzenesulfonic acid. Its EINECS registry number is 263-863-4. In addition, its molecular formula is C₁₂H₁₀O₅S₂ and molecular weight is 298.3348. Its systematic name is called 3-(phenylsulfonyl)benzenesulfonic acid.

Physical properties about Benzenesulfonic acid,3-(phenylsulfonyl)- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 70.62 cm³; (14)Molar Volume: 200.5 cm³; (15)Surface Tension: 57.3 dyne/cm; (16)Density: 1.487 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc(c1)S(=O)(=O)c2ccccc2
(2)InChI: InChI=1/C12H10O5S2/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17/h1-9H,(H,15,16,17)
(3)InChIKey: GHLWVGNAUAHTLR-UHFFFAOYAL