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    CAS 533-58-4

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    CAS 533-58-4
    Also known as: 533-58-4, O-iodophenol, Phenol, 2-iodo-, Phenol, o-iodo-, O-jodphenol, 2-iodanylphenol
    Molecular Formula
    C6H5IO
    Molecular Weight
    220.01  g/mol
    InChI Key
    KQDJTBPASNJQFQ-UHFFFAOYSA-N
    FDA UNII
    F27L34A8B9
    1 2D Structure

    CAS 533-58-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-iodophenol
    2.1.2 InChI
    InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
    2.1.3 InChI Key
    KQDJTBPASNJQFQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    F27L34A8B9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-iodophenol, 123i-labeled

    2. O-iodophenol

    3. Ortho-iodophenol

    2.3.2 Depositor-Supplied Synonyms

    1. 533-58-4

    2. O-iodophenol

    3. Phenol, 2-iodo-

    4. Phenol, O-iodo-

    5. O-jodphenol

    6. 2-iodanylphenol

    7. O-jodfenol

    8. 2-jodfenol

    9. Mfcd00013963

    10. Iodophenol

    11. 2-jodphenol

    12. 30587-23-6

    13. Chebi:16706

    14. F27l34a8b9

    15. Nsc-9245

    16. Phenol, Iodo-

    17. O-jodfenol [czech]

    18. 2-jodfenol [czech]

    19. Nsc 9245

    20. Einecs 208-569-9

    21. Brn 1855300

    22. Unii-f27l34a8b9

    23. 2-iodo Phenol

    24. 2-iodo-phenol

    25. 2-iodophenol (2ip)

    26. 2-iodophenol, 98%

    27. Wln: Qr Bi

    28. O-iodophenol [mi]

    29. Schembl5720

    30. 4-06-00-01070 (beilstein Handbook Reference)

    31. Chembl225564

    32. Dtxsid5052175

    33. Nsc9245

    34. Bdbm217397

    35. Zinc409257

    36. Str06375

    37. Stl280542

    38. Akos009156984

    39. Ac-4390

    40. Am87042

    41. Cs-w008896

    42. Ps-7876

    43. Bp-21314

    44. Sy005097

    45. Db-014125

    46. Ft-0632327

    47. I0460

    48. C01874

    49. H11264

    50. A829536

    51. J-200045

    52. Q27102035

    53. Z1235963356

    54. 6x8

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 220.01 g/mol
    Molecular Formula C6H5IO
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass219.93851 g/mol
    Monoisotopic Mass219.93851 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity74.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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