Cas no 7224-56-8 (2,3,5,6-tetrafluoro-4-iodobenzonitrile)

2,3,5,6-tetrafluoro-4-iodobenzonitrile structure
7224-56-8 structure
Product Name:2,3,5,6-tetrafluoro-4-iodobenzonitrile
CAS No:7224-56-8
MF:C7F4IN
MW:300.979687690735
CID:1753465
PubChem ID:5231648
Update Time:2025-04-21

2,3,5,6-tetrafluoro-4-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,3,5,6-tetrafluoro-4-iodobenzonitrile
    • 7224-56-8
    • DTXSID70411841
    • Inchi: 1S/C7F4IN/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
    • InChI Key: ZVHQBNGXXDOHJG-UHFFFAOYSA-N
    • SMILES: IC1=C(C(=C(C#N)C(=C1F)F)F)F

Computed Properties

  • Exact Mass: 300.9007
  • Monoisotopic Mass: 300.90116g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79
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