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    CAS 78385-26-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 78385-26-9, 3-bromomethyl-3-methyloxetane, Oxetane, 3-(bromomethyl)-3-methyl-, 3-bromomethyl-3-methyl oxetane, Mfcd02684290, Oxetane, 3-bromomethyl-3-methyl-
    Molecular Formula
    C5H9BrO
    Molecular Weight
    165.03  g/mol
    InChI Key
    MGBZKWOJRYGRTO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(bromomethyl)-3-methyloxetane
    2.1.2 InChI
    InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
    2.1.3 InChI Key
    MGBZKWOJRYGRTO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(COC1)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 78385-26-9

    2. 3-bromomethyl-3-methyloxetane

    3. Oxetane, 3-(bromomethyl)-3-methyl-

    4. 3-bromomethyl-3-methyl Oxetane

    5. Mfcd02684290

    6. Oxetane, 3-bromomethyl-3-methyl-

    7. 3-methyl-3-bromomethyloxetane

    8. Schembl254153

    9. 3-bromomethyl-3-methyl-oxetane

    10. Dtxsid2074409

    11. 3-(bromomethyl)-3-methyl-oxetane

    12. Zinc2583942

    13. Akos006276628

    14. Cs-w002970

    15. Gs-4540

    16. Pb21817

    17. Sy008845

    18. 3-bromomethyl-3-methyloxetane, Aldrichcpr

    19. Db-003411

    20. 2-(bromomethyl)-2-methyl-1,3-epoxypropane

    21. Am20020048

    22. B5424

    23. Ft-0615229

    24. A839406

    25. J-512113

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 165.03 g/mol
    Molecular Formula C5H9BrO
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass163.98368 g/mol
    Monoisotopic Mass163.98368 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity68.5
    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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