Benzoic acid, 4-[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]sulfonyl]-

Base Information

• Chemical Name: Benzoic acid, 4-[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]sulfonyl]-
• CAS No.: 88489-84-3
• Molecular Formula: C11H5F9O4S
• Molecular Weight: 404.20600
• DSSTox Substance ID: DTXSID70575053
• Wikidata: Q82464281

Synonyms:88489-84-3;Benzoic acid, 4-[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]sulfonyl]-;DTXSID70575053;4-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propane-2-sulfonyl]benzoic acid

Chemical Property of Benzoic acid, 4-[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]sulfonyl]-

Chemical Property:

• PSA: 79.82000
• LogP: 4.66500
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 403.97648327
• Heavy Atom Count: 25
• Complexity: 567

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F

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