Cas no 1261560-31-9 (3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid)

3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid structure
1261560-31-9 structure
Product Name:3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid
CAS No:1261560-31-9
MF:C15H11F3O3
MW:296.241255044937
MDL:MFCD18322427
CID:2761252
PubChem ID:53228252
Update Time:2025-09-25

3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid
    • [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
    • 3-METHYL-4-(4-TRIFLUOROMETHOXYPHENYL)BENZOICACID
    • DTXSID50691785
    • BS-20093
    • 1261560-31-9
    • SCHEMBL19133367
    • 2-METHYL-4'-(TRIFLUOROMETHOXY)-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID
    • AKOS025294234
    • MFCD18322427
    • 2-Methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxylic acid
    • MDL: MFCD18322427
    • Inchi: 1S/C15H11F3O3/c1-9-8-11(14(19)20)4-7-13(9)10-2-5-12(6-3-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
    • InChI Key: CCLFYAGZIUYKHS-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(=CC=1)C1C=CC(C(=O)O)=CC=1C)(F)F

Computed Properties

  • Exact Mass: 296.06602869Da
  • Monoisotopic Mass: 296.06602869Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 362
  • 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: 4.6
  • Topological Polar Surface Area: 46.5?2

3-Methyl-4-(4-trifluoromethoxyphenyl)benzoic acid Pricemore >>

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