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    CAS 3469-69-0

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    CAS 3469-69-0
    Also known as: 4-iodo-1h-pyrazole, 3469-69-0, 1h-pyrazole, 4-iodo-, Pyrazole, 4-iodo, Mfcd00005244, F33ujd465q
    Molecular Formula
    C3H3IN2
    Molecular Weight
    193.97  g/mol
    InChI Key
    LLNQWPTUJJYTTE-UHFFFAOYSA-N
    FDA UNII
    F33UJD465Q
    1 2D Structure

    CAS 3469-69-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-iodo-1H-pyrazole
    2.1.2 InChI
    InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
    2.1.3 InChI Key
    LLNQWPTUJJYTTE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NN1)I
    2.2 Other Identifiers
    2.2.1 UNII
    F33UJD465Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4-iodo-1h-pyrazole

    2. 3469-69-0

    3. 1h-pyrazole, 4-iodo-

    4. Pyrazole, 4-iodo

    5. Mfcd00005244

    6. F33ujd465q

    7. 4-iodo Pyrazole

    8. 4-iodo-pyrazole

    9. Einecs 222-434-1

    10. 4-iodo-1h-pyrazol

    11. 4-iodopyrazole, 99%

    12. Unii-f33ujd465q

    13. Schembl71959

    14. Chebi:45260

    15. Llnqwptujjytte-uhfffaoysa-

    16. Dtxsid30188244

    17. Act01776

    18. Albb-013400

    19. Bcp23197

    20. Zinc2046962

    21. Stk352892

    22. Akos005168313

    23. Ac-4433

    24. As-2016

    25. Cs-w008950

    26. Db02721

    27. Sb12748

    28. Ncgc00324872-01

    29. Sy004083

    30. Db-006849

    31. A6094

    32. Bb 0258398

    33. Ft-0600009

    34. I0692

    35. En300-81552

    36. Ab01319363-02

    37. 469i690

    38. A936800

    39. Ae-641/00647033

    40. J-515539

    41. J-650219

    42. Q-103260

    43. Q27104548

    44. Z1203162050

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 193.97 g/mol
    Molecular Formula C3H3IN2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area28.7
    Heavy Atom Count6
    Formal Charge0
    Complexity48.1
    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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