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    Technical details about CAS 85952-29-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 85952-29-0

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 85952-29-0, N-methyl-4-nitrotoluenesulphonamide, N-methyl-4-nitrobenzenemethanesulfonamide, Mfcd00277775, N-methyl-4-nitrobenzenemethanesulphonamide, N-methyl-(4-nitrophenyl)methanesulfonamide
    Molecular Formula
    C8H10N2O4S
    Molecular Weight
    230.24  g/mol
    InChI Key
    KZWPBAASZYQWIV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-methyl-1-(4-nitrophenyl)methanesulfonamide
    2.1.2 InChI
    InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
    2.1.3 InChI Key
    KZWPBAASZYQWIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 85952-29-0

    2. N-methyl-4-nitrotoluenesulphonamide

    3. N-methyl-4-nitrobenzenemethanesulfonamide

    4. Mfcd00277775

    5. N-methyl-4-nitrobenzenemethanesulphonamide

    6. N-methyl-(4-nitrophenyl)methanesulfonamide

    7. Maybridge1_006642

    8. Oprea1_403711

    9. Schembl3001018

    10. Hms560f20

    11. Zinc86328

    12. Dtxsid10351555

    13. Ccg-47497

    14. Akos009232330

    15. As-7011

    16. Cs-w012959

    17. Ac-11071

    18. N-methyl-4-nitro-alpha-toluenesulfonamide

    19. Sy262157

    20. {4-nitrophenyl}-n-methylmethanesulfonamide

    21. Ft-0642018

    22. N-methyl-4-nitro- Alpha -toluenesulfonamide

    23. F30190

    24. 952m290

    25. A841503

    26. Ar-011/42531535

    27. Sr-01000637105-1

    2.3 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 230.24 g/mol
    Molecular Formula C8H10N2O4S
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area100
    Heavy Atom Count15
    Formal Charge0
    Complexity309
    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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