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    BUILDING BLOCK

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    Chemistry

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    Also known as: 444731-73-1, 2,3-dimethyl-6-nitroindazole, 2,3-dimethyl-6-nitro-1h-indazole, 2h-indazole, 2,3-dimethyl-6-nitro-, Mfcd10703326, Schembl588588
    Molecular Formula
    C9H9N3O2
    Molecular Weight
    191.19  g/mol
    InChI Key
    JHGRUPGVUMAQQU-UHFFFAOYSA-N
    CAS 444731-73-1
    1 2D Structure

    CAS 444731-73-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dimethyl-6-nitroindazole
    2.1.2 InChI
    InChI=1S/C9H9N3O2/c1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2/h3-5H,1-2H3
    2.1.3 InChI Key
    JHGRUPGVUMAQQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C=CC(=CC2=NN1C)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 444731-73-1

    2. 2,3-dimethyl-6-nitroindazole

    3. 2,3-dimethyl-6-nitro-1h-indazole

    4. 2h-indazole, 2,3-dimethyl-6-nitro-

    5. Mfcd10703326

    6. Schembl588588

    7. Dtxsid20440323

    8. Act04825

    9. Bcp12567

    10. Cs-m3239

    11. 6-nitro-2,3-dimethyl-2h-indazole

    12. Zinc19045402

    13. Akos006302978

    14. Pb28185

    15. Ac-26988

    16. Ds-17646

    17. Sy033490

    18. Am20040488

    19. Ft-0684741

    20. 731d731

    21. J-507031

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 191.19 g/mol
    Molecular Formula C9H9N3O2
    XLogP31.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass191.069476538 g/mol
    Monoisotopic Mass191.069476538 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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