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    CAS 59886-90-7

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    CAS 59886-90-7
    Also known as: 59886-90-7, 4-chloro-2,3-dimethylpyridine n-oxide, 4-chloro-2,3-dimethylpyridine-n-oxide, 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium, 4-chloro-2,3-dimethyl-pyridine 1-oxide, Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide
    Molecular Formula
    C7H8ClNO
    Molecular Weight
    157.60  g/mol
    InChI Key
    MCUYHRNUDDANSO-UHFFFAOYSA-N
    1 2D Structure

    CAS 59886-90-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
    2.1.2 InChI
    InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
    2.1.3 InChI Key
    MCUYHRNUDDANSO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C[N+](=C1C)[O-])Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 59886-90-7

    2. 4-chloro-2,3-dimethylpyridine N-oxide

    3. 4-chloro-2,3-dimethylpyridine-n-oxide

    4. 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium

    5. 4-chloro-2,3-dimethyl-pyridine 1-oxide

    6. Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide

    7. 4-chloro-2,3-dimethylpyridine1-oxide

    8. 2,3-dimethyl-4-chloropyridinen-oxide

    9. 2,3-dimethyl 4-chloro Pyridine N-oxide

    10. 2,3-dimethyl-4-chloropyridine N-oxide

    11. 2,3-dimethyl-4-chloropyridine-n-oxide

    12. Schembl712432

    13. Act01302

    14. Amy14652

    15. Bcp14823

    16. Zinc1562480

    17. Mfcd06411125

    18. Nsc275262

    19. 4-chlor-2,3-dimethylpyridine-n-oxide

    20. Akos006293605

    21. 4-chlor-2,3-dimethylpyridine-1-oxide

    22. Nsc-275262

    23. Sb37866

    24. 2,3-dimethyl-4-chloropyridine 1-oxide

    25. 2,3-dimethyl-4-chloro-pyridine N-oxide

    26. 201605-38-1

    27. Ac-15813

    28. As-10877

    29. Db-000677

    30. Ft-0602429

    31. J-514920

    32. 4-chloro-2,3-dimethylpyridine 1-oxide;2,3-dimethyl-4-chloropyridine N-oxide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 157.60 g/mol
    Molecular Formula C7H8ClNO
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass157.0294416 g/mol
    Monoisotopic Mass157.0294416 g/mol
    Topological Polar Surface Area25.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity120
    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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