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    CAS 516-12-1

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    CAS 516-12-1
    Also known as: 516-12-1, 1-iodopyrrolidine-2,5-dione, Succiniodimide, 2,5-pyrrolidinedione, 1-iodo-, N-iodosuccinimide (nis), N-iodo succinimide
    Molecular Formula
    C4H4INO2
    Molecular Weight
    224.98  g/mol
    InChI Key
    LQZMLBORDGWNPD-UHFFFAOYSA-N
    FDA UNII
    3COS3X3N4P
    1 2D Structure

    CAS 516-12-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-iodopyrrolidine-2,5-dione
    2.1.2 InChI
    InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
    2.1.3 InChI Key
    LQZMLBORDGWNPD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)N(C1=O)I
    2.2 Other Identifiers
    2.2.1 UNII
    3COS3X3N4P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 516-12-1

    2. 1-iodopyrrolidine-2,5-dione

    3. Succiniodimide

    4. 2,5-pyrrolidinedione, 1-iodo-

    5. N-iodosuccinimide (nis)

    6. N-iodo Succinimide

    7. Nis

    8. 1-iodo-2,5-pyrrolidinedione

    9. Mfcd00005512

    10. 3cos3x3n4p

    11. 1-iodo-pyrrolidine-2,5-dione

    12. Succinimide, N-iodo-

    13. Einecs 208-221-6

    14. Unii-3cos3x3n4p

    15. Brn 0113917

    16. N-iodsuccinimide

    17. N-iodosuccinimid

    18. N-iodosuccinirnide

    19. N-jod-succinimid

    20. N-iodo-succinimide

    21. N-iodosuccinic Acid Imide

    22. N-iodosuccinimide, 95%

    23. N-iodopyrrolidin-2,5-dione

    24. Schembl18779

    25. 5-21-09-00544 (beilstein Handbook Reference)

    26. N-iodosuccinimide [mi]

    27. Chebi:53204

    28. Dtxsid10199550

    29. Act02737

    30. Bcp18538

    31. Str02991

    32. Zinc2141015

    33. Ac-534

    34. Stl191537

    35. Akos009156901

    36. Cs-w008878

    37. Pb48800

    38. Bp-21328

    39. Sy001605

    40. Db-016426

    41. Am20100260

    42. Ft-0632267

    43. I0074

    44. N-iodosuccinimide, Purum, >=97.0% (rt)

    45. 16i121

    46. P16496

    47. A828685

    48. W-202947

    49. Q27124017

    50. F0001-1344

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 224.98 g/mol
    Molecular Formula C4H4INO2
    XLogP3-0.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass224.92868 g/mol
    Monoisotopic Mass224.92868 g/mol
    Topological Polar Surface Area37.4 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity129
    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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