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    CAS 72830-09-2

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 72830-09-2, 2-chloromethyl-3,4-dimethoxypyridine hydrochloride, 2-chloromethyl-3,4-dimethoxypyridinium chloride, 2-chloromethyl-3,4-dimethoxy pyridine hydrochloride, 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride, 2-(chloromethyl)-3,4-dimethoxypyridinium hydrochloride
    Molecular Formula
    C8H11Cl2NO2
    Molecular Weight
    224.08  g/mol
    InChI Key
    YYRIKJFWBIEEDH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H
    2.1.3 InChI Key
    YYRIKJFWBIEEDH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C(=NC=C1)CCl)OC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 72830-09-2

    2. 2-chloromethyl-3,4-dimethoxypyridine Hydrochloride

    3. 2-chloromethyl-3,4-dimethoxypyridinium Chloride

    4. 2-chloromethyl-3,4-dimethoxy Pyridine Hydrochloride

    5. 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride

    6. 2-(chloromethyl)-3,4-dimethoxypyridinium Hydrochloride

    7. 2-chloromethyl-3,4-dimethoxy Pyridine Hcl

    8. 2-chloromethyl-3,4-dimethoxy Pyridine, Hcl

    9. 2-(chloromethyl)-3,4-dimethoxypyridine Hcl

    10. Pyridine, 2-(chloromethyl)-3,4-dimethoxy-, Hydrochloride

    11. Pantoprazole Impurity 6 Hcl

    12. 3,4-dimethoxy-2-chloromethylpyridine Hydrochloride

    13. 2-(chloromethyl)-3,4-dimethoxy-pyridine Hydrochloride

    14. Schembl1002426

    15. Dtxsid10993631

    16. Act01507

    17. Bcp34518

    18. Mfcd02181083

    19. Akos007930281

    20. Ac-1138

    21. Cs-w014226

    22. Ps-10655

    23. Db-020937

    24. A9446

    25. Ft-0611963

    26. 2-chloromethyl-3,4-dimethoxypyridiniumchloride

    27. 830c092

    28. A811150

    29. 2-(chloromethyl)-3,4-dimethoxypyridinehydrochloride

    30. 3,4-dimethoxy-2-chloromethyl Pyridine Hydrochloride

    31. J-010586

    32. J-506285

    33. 2-(chloromethyl)-3,4-dimethoxypyridin-1-ium Chloride

    34. 2-(chloromethyl)-3,4-dimethoxypyridine Hydrochloride, 97%

    35. 2-(chloromethyl)-3,4-dimethoxypyridine Hydrochloride (1:1)

    36. 2-(chloromethyl)-3,4-dimethoxypyridine--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-07-16
    3 Chemical and Physical Properties
    Molecular Weight 224.08 g/mol
    Molecular Formula C8H11Cl2NO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass223.0166840 g/mol
    Monoisotopic Mass223.0166840 g/mol
    Topological Polar Surface Area31.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2