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    Technical details about CAS 1156-50-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1156-50-9

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    PharmaCompass

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

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    2D Structure
    1. Also known as: 1156-50-9, 4-nitrophenyl sulfone, Bis(4-nitrophenyl)sulfone, Bis(4-nitrophenyl) sulphone, 4,4'-dinitrodiphenyl sulfone, 1-nitro-4-(4-nitrophenyl)sulfonylbenzene
    Molecular Formula
    C12H8N2O6S
    Molecular Weight
    308.27  g/mol
    InChI Key
    BVHNGWRPAFKGFP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-nitro-4-(4-nitrophenyl)sulfonylbenzene
    2.1.2 InChI
    InChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H
    2.1.3 InChI Key
    BVHNGWRPAFKGFP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1156-50-9

    2. 4-nitrophenyl Sulfone

    3. Bis(4-nitrophenyl)sulfone

    4. Bis(4-nitrophenyl) Sulphone

    5. 4,4'-dinitrodiphenyl Sulfone

    6. 1-nitro-4-(4-nitrophenyl)sulfonylbenzene

    7. 4,4'-dinitrodiphenylsulfone

    8. Benzene, 1,1'-sulfonylbis[4-nitro-

    9. Benzene, 1,1'-sulfonylbis(4-nitro-

    10. 4,4'-sulfonylbis(nitrobenzene)

    11. Nsc20609

    12. Nsc-20609

    13. Bis(p-nitrophenyl) Sulfone

    14. 1,1'-sulfonylbis(4-nitrobenzene)

    15. Einecs 214-589-9

    16. Nsc 20609

    17. Brn 2060993

    18. Sulfone, Bis(p-nitrophenyl)

    19. Benzene, 1,1'-sulfonylbis(4-nitro- (9ci)

    20. Dextro Camphorquinone

    21. Compound 1 Analog 13

    22. 1-nitro-4-[(4-nitrobenzene)sulfonyl]benzene

    23. 4-06-00-01698 (beilstein Handbook Reference)

    24. 4-nitro-phenyl-sulfone

    25. Chembl215397

    26. Schembl3158508

    27. Bdbm11302

    28. Dtxsid60151143

    29. Zinc1571129

    30. Mfcd00010447

    31. Akos001038366

    32. 1-nitro-4-(4-nitrophenyl)sulfonyl-benzene

    33. Db-041281

    34. Cs-0441411

    35. Ft-0633413

    36. D89946

    37. J-003313

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 308.27 g/mol
    Molecular Formula C12H8N2O6S
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass308.01030715 g/mol
    Monoisotopic Mass308.01030715 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity447
    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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