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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: Schembl4092168, 865671-22-3, Db-389306
    Molecular Formula
    C8H7BrFNO
    Molecular Weight
    232.05  g/mol
    InChI Key
    TXOZZNLKKMYXRU-UHFFFAOYSA-N
    CAS 865671-22-3
    1 2D Structure

    CAS 865671-22-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-amino-5-bromo-3-fluorophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H7BrFNO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,11H2,1H3
    2.1.3 InChI Key
    TXOZZNLKKMYXRU-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl4092168

    2. 865671-22-3

    3. Db-389306

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 232.05 g/mol
    Molecular Formula C8H7BrFNO
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area43.1
    Heavy Atom Count12
    Formal Charge0
    Complexity188
    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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