Cas no 1261952-43-5 (4-[3-Hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid)

4-[3-Hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid structure
1261952-43-5 structure
Product Name:4-[3-Hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CAS No:1261952-43-5
MF:C12H7F3O3S
MW:288.242392778397
CID:2765666
PubChem ID:53222060
Update Time:2025-04-21

4-[3-Hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1261952-43-5
    • DTXSID40686640
    • 4-[3-Hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
    • Inchi: 1S/C12H7F3O3S/c13-12(14,15)8-1-6(2-9(16)4-8)7-3-10(11(17)18)19-5-7/h1-5,16H,(H,17,18)
    • InChI Key: VMKFYBTVKGMUKH-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC(=C1)C1=CC(=CC(C(F)(F)F)=C1)O

Computed Properties

  • Exact Mass: 288.00679974Da
  • Monoisotopic Mass: 288.00679974Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 348
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 85.8?2
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