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    BUILDING BLOCK

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    Chemistry

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    Also known as: 2,2-dibromoheptanitrile, 60623-74-7, Methyl1-aminocyclopentanecarboxylatehcl, Heptanenitrile,2,2-dibromo-, Schembl11822285, Dtxsid201312076
    Molecular Formula
    C7H11Br2N
    Molecular Weight
    268.98  g/mol
    InChI Key
    AAKAUBPKRRQJLY-UHFFFAOYSA-N
    CAS 60623-74-7
    1 2D Structure

    CAS 60623-74-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dibromoheptanenitrile
    2.1.2 InChI
    InChI=1S/C7H11Br2N/c1-2-3-4-5-7(8,9)6-10/h2-5H2,1H3
    2.1.3 InChI Key
    AAKAUBPKRRQJLY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCC(C#N)(Br)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2,2-dibromoheptanitrile

    2. 60623-74-7

    3. Methyl1-aminocyclopentanecarboxylatehcl

    4. Heptanenitrile,2,2-dibromo-

    5. Schembl11822285

    6. Dtxsid201312076

    7. Zinc95869779

    8. J-802046

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 268.98 g/mol
    Molecular Formula C7H11Br2N
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass268.92378 g/mol
    Monoisotopic Mass266.92582 g/mol
    Topological Polar Surface Area23.8 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity134
    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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