Cas no 75908-75-7 (Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo-)

Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo- structure
75908-75-7 structure
Product Name:Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo-
CAS No:75908-75-7
MF:C10H12I2O
MW:402.010627746582
CID:538810
PubChem ID:10216175
Update Time:2025-04-19

Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-(1,1-dimethylethyl)-2,6-diiodo-
    • 4-(1,1-Dimethylethyl)-2,6-diiodophenol
    • 4-tert-butyl-2,6-diiodophenol
    • DTXSID20436802
    • BS-24525
    • 75908-75-7
    • FT-0751256
    • SCHEMBL7930120
    • Inchi: 1S/C10H12I2O/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,13H,1-3H3
    • InChI Key: CZMBOODZJMDOJH-UHFFFAOYSA-N
    • SMILES: IC1C(=C(C=C(C=1)C(C)(C)C)I)O

Computed Properties

  • Exact Mass: 401.89686
  • Monoisotopic Mass: 401.89776g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • 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: 4.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

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