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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1893125-36-4, Schembl21246780, At32298, 5-amino-6-chloro-2-methyl-2h-indazole, Sy310102, Cs-0375281
    Molecular Formula
    C8H8ClN3
    Molecular Weight
    181.62  g/mol
    InChI Key
    YRZNRFJEBAPCCO-UHFFFAOYSA-N
    CAS 1893125-36-4
    1 2D Structure

    CAS 1893125-36-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-2-methylindazol-5-amine
    2.1.2 InChI
    InChI=1S/C8H8ClN3/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,10H2,1H3
    2.1.3 InChI Key
    YRZNRFJEBAPCCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C2C=C(C(=CC2=N1)Cl)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1893125-36-4

    2. Schembl21246780

    3. At32298

    4. 5-amino-6-chloro-2-methyl-2h-indazole

    5. Sy310102

    6. Cs-0375281

    2.3 Create Date
    2016-02-15
    3 Chemical and Physical Properties
    Molecular Weight 181.62 g/mol
    Molecular Formula C8H8ClN3
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass181.0406750 g/mol
    Monoisotopic Mass181.0406750 g/mol
    Topological Polar Surface Area43.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity176
    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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