Cas no 13332-27-9 (Benzene, 1,2,5-trifluoro-4-iodo-3-methoxy-)

Benzene, 1,2,5-trifluoro-4-iodo-3-methoxy- structure
13332-27-9 structure
Product Name:Benzene, 1,2,5-trifluoro-4-iodo-3-methoxy-
CAS No:13332-27-9
MF:C7H4F3IO
MW:288.005744934082
CID:1232830
PubChem ID:85612237
Update Time:2025-04-20

Benzene, 1,2,5-trifluoro-4-iodo-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,2,5-trifluoro-4-iodo-3-methoxy-
    • 1,2,5-Trifluoro-4-iodo-3-methoxybenzene
    • 13332-27-9
    • 2-Iodo-3,5,6-trifluoroanisole
    • Inchi: 1S/C7H4F3IO/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
    • InChI Key: UQNIDFXNJDRZQZ-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(=C(C=1OC)F)F)F

Computed Properties

  • Exact Mass: 287.92542
  • Monoisotopic Mass: 287.92590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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: 2.8
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23
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