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    CAS 593-71-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 593-71-5, Chloro(iodo)methane, Methane, chloroiodo-, Iodochloromethane, Chloro-iodomethane, Chloroiodomethane; chloromethyl iodide
    Molecular Formula
    CH2ClI
    Molecular Weight
    176.38  g/mol
    InChI Key
    PJGJQVRXEUVAFT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    chloro(iodo)methane
    2.1.2 InChI
    InChI=1S/CH2ClI/c2-1-3/h1H2
    2.1.3 InChI Key
    PJGJQVRXEUVAFT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(Cl)I
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 593-71-5

    2. Chloro(iodo)methane

    3. Methane, Chloroiodo-

    4. Iodochloromethane

    5. Chloro-iodomethane

    6. Chloroiodomethane; Chloromethyl Iodide

    7. Methylene Chloroiodide

    8. Chloroiodomethane, Polymorph Iii

    9. Chloro-iodo-methane

    10. Chloroiodo-methane

    11. Einecs 209-804-8

    12. Mfcd00001078

    13. Clch2i

    14. Ich2cl

    15. Chloroiodomethane, 97%

    16. Unii-x7af9wg7cx

    17. X7af9wg7cx

    18. Schembl35847

    19. Pjgjqvrxeuvaft-uhfffaoysa-

    20. Amy2690

    21. Dtxsid50208034

    22. Chloroiodomethane Stabilized Over Cu

    23. C1179

    24. Akos015850790

    25. Bp-10639

    26. Db-053375

    27. Cs-0015110

    28. Ft-0623669

    29. D78022

    30. A832287

    31. Q421730

    32. F0001-1556

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 176.38 g/mol
    Molecular Formula CH2ClI
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass175.88898 g/mol
    Monoisotopic Mass175.88898 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count3
    Formal Charge0
    Complexity4.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1