(S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid

Base Information

• Chemical Name: (S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid
• CAS No.: 533931-72-5
• Molecular Formula: C₁₀H₉F₃O₅S
• Molecular Weight: 298.24
• DSSTox Substance ID: DTXSID501150982
• ChEMBL ID: CHEMBL2024083
• Mol file: 533931-72-5.mol

Synonyms:533931-72-5;(S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid;(2S)-2-[4-(trifluoromethanesulfonyloxy)phenyl]propanoic acid;SCHEMBL1345636;CHEMBL2024083;DTXSID501150982;AC6312;AKOS037630777;A914470;Benzeneacetic acid, alpha-methyl-4-[[(trifluoromethyl)sulfonyl]oxy]-, (alphaS)-

Chemical Property of (S)-2-[4-[[(Trifluoromethyl)sulfonyl]oxy]phenyl]propanoic Acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 298.01227904
• Heavy Atom Count: 19
• Complexity: 417

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)O
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)O