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16704-71-5

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Basic Information
CAS No.: 16704-71-5
Name: Benzenesulfonicacid, 3-(diphenylphosphino)-
Article Data: 3
Molecular Structure:
Molecular Structure of 16704-71-5 (Benzenesulfonicacid, 3-(diphenylphosphino)-)
Formula: C18H15O3PS
Molecular Weight: 342.3487
Synonyms: Benzenesulfonicacid, m-(diphenylphosphino)- (8CI);(m-Sulfophenyl)diphenylphosphine;Diphenyl(3-sulfophenyl)phosphine;m-(Diphenylphosphino)benzenesulfonic acid;
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Specification

The CAS registry number of Benzenesulfonicacid, 3-(diphenylphosphino)- is 16704-71-5. This chemical is also named as Benzenesulfonicacid, m-(diphenylphosphino)- (8CI). In addition, its molecular formula is C18H15O3PS and molecular weight is 342.3487. Its systematic name is called 3-(diphenylphosphanyl)benzenesulfonic acid.

Physical properties about Benzenesulfonicacid, 3-(diphenylphosphino)- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 1.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c3cc(P(c1ccccc1)c2ccccc2)ccc3
(2)InChI: InChI=1/C18H15O3PS/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H,19,20,21)
(3)InChIKey: ITPOKAFWZBFZCV-UHFFFAOYAN