Cas no 14055-52-8 (Benzoic acid,2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)-)

Benzoic acid,2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)- structure
14055-52-8 structure
Product Name:Benzoic acid,2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)-
CAS No:14055-52-8
MF:C13HF9O3
MW:376.130875349045
CID:232879
PubChem ID:297570
Update Time:2025-04-19

Benzoic acid,2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)-
    • 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzoic acid
    • DTXSID90305011
    • 2,3,5,6-tetrafluoro-4-(pentafluorophenoxy)benzoic acid
    • 14055-52-8
    • NSC168753
    • NSC-168753
    • SCHEMBL22766208
    • Inchi： 1S/C13HF9O3/c14-2-1(13(23)24)3(15)8(20)11(7(2)19)25-12-9(21)5(17)4(16)6(18)10(12)22/h(H,23,24)
    • InChI Key： LKYHSVZYRDQLGY-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C(=O)O)C(=C(C=1OC1C(=C(C(=C(C=1F)F)F)F)F)F)F)F

Computed Properties

  • Exact Mass: 375.97813
  • Monoisotopic Mass: 375.978
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 465
  • 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: 3.9
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.787
  • Boiling Point: 244.5°C at 760 mmHg
  • Flash Point: 101.6°C
  • Refractive Index: 1.478
  • PSA: 46.53

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