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    CAS 70315-70-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70315-70-7, 3-iodo-6-nitroindazole, 3-iodo-6-nitro-2h-indazole, 1h-indazole, 3-iodo-6-nitro-, 3-iodo-6-nitro (1h)indazole, Mfcd07781652
    Molecular Formula
    C7H4IN3O2
    Molecular Weight
    289.03  g/mol
    InChI Key
    GZCGNGLOCQEDMT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-iodo-6-nitro-2H-indazole
    2.1.2 InChI
    InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
    2.1.3 InChI Key
    GZCGNGLOCQEDMT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 70315-70-7

    2. 3-iodo-6-nitroindazole

    3. 3-iodo-6-nitro-2h-indazole

    4. 1h-indazole, 3-iodo-6-nitro-

    5. 3-iodo-6-nitro (1h)indazole

    6. Mfcd07781652

    7. Schembl1176140

    8. Dtxsid30499680

    9. Bcp13975

    10. Ar2396

    11. Zinc14983610

    12. Akos015898568

    13. Cs-w010008

    14. Gs-3910

    15. Pb32533

    16. Wt81986

    17. 3-iodo-6-nitro-1h-indazole, Aldrichcpr

    18. Ac-24363

    19. Sy046621

    20. A9280

    21. Am20090680

    22. Ft-0686006

    23. I1004

    24. 315i707

    25. J-512694

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 289.03 g/mol
    Molecular Formula C7H4IN3O2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass288.93482 g/mol
    Monoisotopic Mass288.93482 g/mol
    Topological Polar Surface Area74.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1