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    Chemistry

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    Also known as: 54804-43-2, 2-bromomethylquinoxaline, Schembl27686, Dtxsid10415328, Zinc8731356, Mfcd09699178
    Molecular Formula
    C9H7BrN2
    Molecular Weight
    223.07  g/mol
    InChI Key
    DBRMJCLTIHPLCZ-UHFFFAOYSA-N
    CAS 54804-43-2
    1 2D Structure

    CAS 54804-43-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(bromomethyl)quinoxaline
    2.1.2 InChI
    InChI=1S/C9H7BrN2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H,5H2
    2.1.3 InChI Key
    DBRMJCLTIHPLCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)N=CC(=N2)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 54804-43-2

    2. 2-bromomethylquinoxaline

    3. Schembl27686

    4. Dtxsid10415328

    5. Zinc8731356

    6. Mfcd09699178

    7. As-38844

    2.3 Create Date
    2005-11-29
    3 Chemical and Physical Properties
    Molecular Weight 223.07 g/mol
    Molecular Formula C9H7BrN2
    XLogP31.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass221.97926 g/mol
    Monoisotopic Mass221.97926 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity152
    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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