Cas no 1261907-60-1 (3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid)

3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid structure
1261907-60-1 structure
Product Name:3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261907-60-1
MF:C16H13F3O3
MW:310.267835378647
CID:2762675
PubChem ID:53226329
Update Time:2025-04-21

3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID40690040
    • 3'-Ethoxy-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • SCHEMBL26657558
    • 3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid, 95%
    • MFCD18320426
    • 3-(3-ETHOXYPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • 1261907-60-1
    • 3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid
    • Inchi: 1S/C16H13F3O3/c1-2-22-14-5-3-4-10(9-14)11-6-12(15(20)21)8-13(7-11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
    • InChI Key: GLPNOQJXQKTION-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(=O)O)C=C(C=1)C1C=CC=C(C=1)OCC)(F)F

Computed Properties

  • Exact Mass: 310.08167876Da
  • Monoisotopic Mass: 310.08167876Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 383
  • 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: 4.3
  • Topological Polar Surface Area: 46.5?2
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