4-{[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfanyl}benzoic acid

Base Information

• Chemical Name: 4-{[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfanyl}benzoic acid
• CAS No.: 88489-78-5
• Molecular Formula: C11H5F9O2S
• DSSTox Substance ID: DTXSID10575057
• Wikidata: Q82464288

Synonyms:88489-78-5;DTXSID10575057;4-{[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfanyl}benzoic acid;Benzoic acid, 4-[[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]thio]-?

Chemical Property of 4-{[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfanyl}benzoic acid

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 371.98665403
• Heavy Atom Count: 23
• Complexity: 396

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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