Cas no 1003709-67-8 (2,3,5-trifluoro-4-methoxy-benzoic acid)

2,3,5-trifluoro-4-methoxy-benzoic acid structure
1003709-67-8 structure
Product Name:2,3,5-trifluoro-4-methoxy-benzoic acid
CAS No:1003709-67-8
MF:C8H5F3O3
MW:206.118713140488
MDL:MFCD06797838
CID:1037501
PubChem ID:22401963
Update Time:2025-04-20

2,3,5-trifluoro-4-methoxy-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-2,3,5-trifluorobenzoic acid
    • ACT01000
    • AG-C-29078
    • AS01893
    • CTK6J4303
    • MolPort-002-462-073
    • PubChem4457
    • RP26207
    • 2,3,5-Trifluoro-4-methoxybenzoic acid
    • 4-Methoxy-2,3,5-trifluorobenzoicacid
    • CM12841
    • PC49653
    • FCH1382409
    • BC676227
    • AX8161289
    • ST2411491
    • Benzoic acid, 2,3,5-trifluoro-4-methoxy-
    • X4503
    • 2,3,5-trifluoro-4-methoxy-benzoic acid
    • 1003709-67-8
    • J-515628
    • AKOS016009657
    • 4-Methoxy-2 pound not3 pound not5-trifluorobenzoic acid
    • SCHEMBL6422815
    • SY107777
    • MFCD06797838
    • DTXSID20625496
    • CS-0034106
    • A20066
    • DS-2720
    • MDL: MFCD06797838
    • Inchi: 1S/C8H5F3O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2H,1H3,(H,12,13)
    • InChI Key: SGQBBRRGMRJQPE-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=CC=1C(=O)O)F)OC)F

Computed Properties

  • Exact Mass: 206.01905
  • Monoisotopic Mass: 206.01907850g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 46.5
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.487±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 267.3±35.0 oC (760 Torr),
  • Flash Point: 115.4±25.9 oC,
  • Solubility: Almost insoluble (0.093 g/l) (25 o C),
  • PSA: 46.53

2,3,5-trifluoro-4-methoxy-benzoic acid Pricemore >>

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