Cas no 1261963-45-4 (3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid)

3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid is a fluorinated aromatic carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. The presence of the trifluoromethyl group enhances its metabolic stability and lipophilicity, making it a valuable intermediate in the synthesis of bioactive compounds. The ethoxy and methyl substituents on the phenyl ring contribute to its structural diversity, allowing for tailored interactions in molecular design. This compound exhibits favorable physicochemical properties, including moderate solubility in organic solvents, facilitating its use in synthetic workflows. Its well-defined structure and functional group compatibility make it a versatile building block for developing novel therapeutic or crop protection agents.
3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid structure
1261963-45-4 structure
Product Name:3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261963-45-4
MF:C17H15F3O3
MW:324.294415712357
MDL:MFCD18321280
CID:2766366
PubChem ID:53227171
Update Time:2025-05-28

3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1261963-45-4
    • 3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid, 95%
    • DTXSID50690758
    • 4'-Ethoxy-2'-methyl-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • 3-(4-ETHOXY-2-METHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • MFCD18321280
    • 3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid
    • MDL： MFCD18321280
    • Inchi： 1S/C17H15F3O3/c1-3-23-14-4-5-15(10(2)6-14)11-7-12(16(21)22)9-13(8-11)17(18,19)20/h4-9H,3H2,1-2H3,(H,21,22)
    • InChI Key： NKIIWCBLKRRLST-UHFFFAOYSA-N
    • SMILES： FC(C1=CC(C(=O)O)=CC(=C1)C1C=CC(=CC=1C)OCC)(F)F

Computed Properties

  • Exact Mass: 324.09732882Da
  • Monoisotopic Mass: 324.09732882Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 410
  • 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: 4.7
  • Topological Polar Surface Area: 46.5?2

3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328499-5 g
3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
 1261963-45-4 95%
5g
 €1159.00 2023-06-21
abcr
AB328499-5g
3-(4-Ethoxy-2-methylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
 1261963-45-4 95%
5g
 €1159.00 2025-04-21

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