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    CAS 261953-36-0

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    CAS 261953-36-0
    Also known as: 261953-36-0, 6-iodoindazole, 1h-indazole, 6-iodo-, Mfcd04114695, 6-iodo(1h)indazole, Ec 607-884-2
    Molecular Formula
    C7H5IN2
    Molecular Weight
    244.03  g/mol
    InChI Key
    RSGAXJZKQDNFEP-UHFFFAOYSA-N
    1 2D Structure

    CAS 261953-36-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-iodo-1H-indazole
    2.1.2 InChI
    InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
    2.1.3 InChI Key
    RSGAXJZKQDNFEP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1I)NN=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 261953-36-0

    2. 6-iodoindazole

    3. 1h-indazole, 6-iodo-

    4. Mfcd04114695

    5. 6-iodo(1h)indazole

    6. Ec 607-884-2

    7. Schembl1141578

    8. Schembl17696315

    9. Dtxsid60514491

    10. Bcp00928

    11. Cs-d0910

    12. Zinc14983495

    13. Akos015853878

    14. 6-iodoindazole;1h-indazole, 6-iodo-

    15. Ds-2696

    16. Pb29317

    17. Ac-23729

    18. Sy020603

    19. Db-011632

    20. A5203

    21. Am20040046

    22. Ft-0647772

    23. I0933

    24. 953i360

    25. J-518802

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 244.03 g/mol
    Molecular Formula C7H5IN2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass243.94975 g/mol
    Monoisotopic Mass243.94975 g/mol
    Topological Polar Surface Area28.7 Ų
    Heavy Atom Count10
    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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