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    CAS 4360-63-8

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    CAS 4360-63-8
    Also known as: 4360-63-8, 2-(bromomethyl)-1,3-dioxolane, Bromoacetaldehyde ethylene acetal, 1,3-dioxolane, 2-(bromomethyl)-, Mfcd00003214, Einecs 224-443-6
    Molecular Formula
    C4H7BrO2
    Molecular Weight
    167.00  g/mol
    InChI Key
    CKIIJIDEWWXQEA-UHFFFAOYSA-N
    1 2D Structure

    CAS 4360-63-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(bromomethyl)-1,3-dioxolane
    2.1.2 InChI
    InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
    2.1.3 InChI Key
    CKIIJIDEWWXQEA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COC(O1)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4360-63-8

    2. 2-(bromomethyl)-1,3-dioxolane

    3. Bromoacetaldehyde Ethylene Acetal

    4. 1,3-dioxolane, 2-(bromomethyl)-

    5. Mfcd00003214

    6. Einecs 224-443-6

    7. Bromoacetaldehyde Diethyl Acetall

    8. Bromomethyl Dioxolane

    9. (1,3-dioxolan-2-yl)methyl Bromide

    10. 2-bromomethyl-1,3-dioxolan

    11. Schembl169073

    12. 2-bromomethyl-[1,3]dioxolane

    13. 2-bromomethyl-1, 3-dioxolane

    14. Dtxsid1063431

    15. Bromomethyl-1,3-dioxolane, 2-

    16. Ckiijidewwxqea-uhfffaoysa-

    17. (1,3-dioxolan-2-yl)methylbromide

    18. Amy39416

    19. Bbl027424

    20. Stl370326

    21. 2-bromomethyl-1,3-dioxolane, 96%

    22. Akos005216542

    23. Cs-w021428

    24. As-17571

    25. Sy013531

    26. B1152

    27. Ft-0611577

    28. En300-77092

    29. O10502

    30. A826339

    31. W-106221

    32. F2190-0187

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 167.00 g/mol
    Molecular Formula C4H7BrO2
    XLogP30.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area18.5
    Heavy Atom Count7
    Formal Charge0
    Complexity51.7
    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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