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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 29086-41-7, 1,1-bis-(bromomethyl)-cyclopropane, Cyclopropane, 1,1-bis(bromomethyl)-, Mfcd18836655, Ec 805-270-0, Schembl3659642
    Molecular Formula
    C5H8Br2
    Molecular Weight
    227.92  g/mol
    InChI Key
    GJCHFNVRRQTXHL-UHFFFAOYSA-N
    CAS 29086-41-7
    1 2D Structure

    CAS 29086-41-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1-bis(bromomethyl)cyclopropane
    2.1.2 InChI
    InChI=1S/C5H8Br2/c6-3-5(4-7)1-2-5/h1-4H2
    2.1.3 InChI Key
    GJCHFNVRRQTXHL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(CBr)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29086-41-7

    2. 1,1-bis-(bromomethyl)-cyclopropane

    3. Cyclopropane, 1,1-bis(bromomethyl)-

    4. Mfcd18836655

    5. Ec 805-270-0

    6. Schembl3659642

    7. Dtxsid90452195

    8. 1,1-bis-(bromomethyl) Cyclopropane

    9. Akos016005789

    10. Zinc100043788

    11. Ds-15112

    12. Sy105835

    13. 1,1-bis(bromomethyl)-cyclopropane

    14. Db-102853

    15. Cs-0088398

    16. Ft-0696705

    17. A876531

    18. F8888-3780

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 227.92 g/mol
    Molecular Formula C5H8Br2
    XLogP32.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass227.89723 g/mol
    Monoisotopic Mass225.89928 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity60.5
    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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