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    CAS 133-91-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 133-91-5, 2-hydroxy-3,5-diiodobenzoic acid, Benzoic acid, 2-hydroxy-3,5-diiodo-, 3,5-diiodo-2-hydroxybenzoic acid, 2-hydroxy-3,5-diiodobenzoate, 3,5-diiodosalicylate
    Molecular Formula
    C7H4I2O3
    Molecular Weight
    389.91  g/mol
    InChI Key
    DHZVWQPHNWDCFS-UHFFFAOYSA-N
    FDA UNII
    1496OH15B6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-3,5-diiodobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
    2.1.3 InChI Key
    DHZVWQPHNWDCFS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1C(=O)O)O)I)I
    2.2 Other Identifiers
    2.2.1 UNII
    1496OH15B6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5-diiodosalicylic Acid, Disodium Salt

    2. 3,5-diiodosalicylic Acid, Lithium Salt

    3. 3,5-diiodosalicylic Acid, Monolithium Salt

    4. 3,5-diiodosalicylic Acid, Monosodium Salt

    5. Lithium Di-iodosalicylate

    6. Lithium Diiodosalicilate

    7. Lithium Diiodosalicylate

    2.3.2 Depositor-Supplied Synonyms

    1. 133-91-5

    2. 2-hydroxy-3,5-diiodobenzoic Acid

    3. Benzoic Acid, 2-hydroxy-3,5-diiodo-

    4. 3,5-diiodo-2-hydroxybenzoic Acid

    5. 2-hydroxy-3,5-diiodobenzoate

    6. 3,5-diiodosalicylate

    7. Salicylic Acid, 3,5-diiodo-

    8. 2-hydroxy-3,5-diiodo-benzoic Acid

    9. 2-hydroxy-3,5-diiodobenzenecarboxylic Acid

    10. Mfcd00002444

    11. Nsc 6303

    12. Benzoic Acid, 3,5-diiodo-2-hydroxy-

    13. 3,5-di-iodo Salicylic Acid

    14. Chembl1232243

    15. Nsc6303

    16. Nsc-6303

    17. 1496oh15b6

    18. Diiodosalicylic Acid

    19. Diu

    20. Einecs 205-124-0

    21. Brn 2615358

    22. Ai3-33355

    23. Unii-1496oh15b6

    24. 3,5-diidosalicylic Acid

    25. 3.5-diiodosalicylic Acid

    26. Salicylic Acid,5-diiodo-

    27. 3,5-di-iodosalicylicacid

    28. 3,5-diiodo Salicylic Acid

    29. Ec 205-124-0

    30. Wln: Qvr Bq Ci Ei

    31. 3,5 -diiodo Salicylic Acid

    32. 1321-04-6

    33. Schembl425350

    34. Dtxsid3059636

    35. 3,5-diiodosalicylic Acid, 99%

    36. Bcp21693

    37. Zinc3860382

    38. Bdbm50404080

    39. Stk301498

    40. Akos001049528

    41. Cs-w009393

    42. Db04674

    43. 3,5-diiodosalicylic Acid [mi]

    44. Ac-23693

    45. As-12979

    46. Sy014327

    47. D1677

    48. Ft-0614632

    49. D88046

    50. Q223023

    51. Sr-01000048884

    52. J-650227

    53. Sr-01000048884-1

    54. W-108290

    55. Z56957494

    56. 3,5-diiodo-2-hydroxybenzoic Acid Pound>>2-hydroxy-3,5-diiodobenzoic Acid

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 389.91 g/mol
    Molecular Formula C7H4I2O3
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass389.82499 g/mol
    Monoisotopic Mass389.82499 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity186
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1