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    CAS 80841-78-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 80841-78-7, 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 4-cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-, 4-choromethyl-5-methyl-2-oxo-1,3-dioxole
    Molecular Formula
    C5H5ClO3
    Molecular Weight
    148.54  g/mol
    InChI Key
    QCLFSYYUWPUWQR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
    2.1.2 InChI
    InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
    2.1.3 InChI Key
    QCLFSYYUWPUWQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(OC(=O)O1)CCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 80841-78-7

    2. 4-chloromethyl-5-methyl-1,3-dioxol-2-one

    3. 4-cloromethyl-5-methyl-1,3-dioxol-2-one

    4. 4-chloromethyl-5-methyl-1,3-dioxolen-2-one

    5. 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-

    6. 4-choromethyl-5-methyl-2-oxo-1,3-dioxole

    7. Mfcd07787494

    8. Ec 617-178-6

    9. Schembl94170

    10. 4-(chloromethyl)-5-methyl-2h-1,3-dioxol-2-one

    11. Dtxsid50431805

    12. Amy40443

    13. Bcp26717

    14. Zinc21300263

    15. Akos006380113

    16. Cs-w019685

    17. Sb41032

    18. Ac-25864

    19. As-10967

    20. Sy030049

    21. 4-chloromethyl-5methyl-1,3-dioxol-2-one

    22. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxole

    23. C1882

    24. Ft-0600795

    25. 4-chloromethyl-5-methyl-[1,3]dioxol-2-one

    26. 4-chloromethyl-5-methyl-1,3-dioxolene-2-one

    27. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxolene

    28. 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 97%

    29. 841c787

    30. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl Chloride

    31. J-513698

    32. (5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl Chloride

    33. 4-cloromethyl-5-methyl-1,3-dioxol-2-one (dmdo-cl)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 148.54 g/mol
    Molecular Formula C5H5ClO3
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass147.9927217 g/mol
    Monoisotopic Mass147.9927217 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity173
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1