Cas no 113827-86-4 (1,2,4,5-tetrafluoro-3-propoxybenzene)

1,2,4,5-tetrafluoro-3-propoxybenzene structure
113827-86-4 structure
Product Name:1,2,4,5-tetrafluoro-3-propoxybenzene
CAS No:113827-86-4
MF:C9H8F4O
MW:208.152836799622
CID:2611729
PubChem ID:13805727
Update Time:2025-04-21

1,2,4,5-tetrafluoro-3-propoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,4,5-tetrafluoro-3-propoxybenzene
    • Benzene, 1,2,4,5-tetrafluoro-3-propoxy-
    • 113827-86-4
    • DTXCID70500820
    • SCHEMBL19795478
    • DTXSID60550036
    • Inchi: 1S/C9H8F4O/c1-2-3-14-9-7(12)5(10)4-6(11)8(9)13/h4H,2-3H2,1H3
    • InChI Key: JOUXRDULVSMQKC-UHFFFAOYSA-N
    • SMILES: FC1C(=CC(=C(C=1OCCC)F)F)F

Computed Properties

  • Exact Mass: 208.05112752Da
  • Monoisotopic Mass: 208.05112752Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 164
  • 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: 3.3
  • Topological Polar Surface Area: 9.2?2
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