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    CAS 13290-96-5

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    CAS 13290-96-5
    Also known as: 13290-96-5, Dimethyl 5-nitrobenzene-1,3-dicarboxylate, 5-nitroisophthalic acid dimethyl ester, 1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester, 5-nitroisophthalic acid, dimethyl ester, 1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester
    Molecular Formula
    C10H9NO6
    Molecular Weight
    239.18  g/mol
    InChI Key
    GGTSJKFPGKFLCZ-UHFFFAOYSA-N
    FDA UNII
    AM7XSW83FE
    1 2D Structure

    CAS 13290-96-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl 5-nitrobenzene-1,3-dicarboxylate
    2.1.2 InChI
    InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
    2.1.3 InChI Key
    GGTSJKFPGKFLCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    AM7XSW83FE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 13290-96-5

    2. Dimethyl 5-nitrobenzene-1,3-dicarboxylate

    3. 5-nitroisophthalic Acid Dimethyl Ester

    4. 1,3-benzenedicarboxylic Acid, 5-nitro-, Dimethyl Ester

    5. 5-nitroisophthalic Acid, Dimethyl Ester

    6. 1,3-benzenedicarboxylic Acid, 5-nitro-, 1,3-dimethyl Ester

    7. Isophthalic Acid, 5-nitro-, Dimethyl Ester

    8. 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate

    9. Mfcd00008429

    10. Am7xsw83fe

    11. 5-nitro-1,3-benzenedicarboxylic Acid Dimethyl Ester

    12. Nsc-93786

    13. Einecs 236-307-3

    14. 5-nitro Dimethyl Isophthalate

    15. Nsc 93786

    16. Dimethyl,5-nitroisophthalate

    17. Brn 2140916

    18. Dimethyl 5-nitro-1,3-benzenedicarboxylate

    19. Unii-am7xsw83fe

    20. Dimethyl-5-nitroisophthalat

    21. Ec 236-307-3

    22. 4-09-00-03299 (beilstein Handbook Reference)

    23. Dimethyl 5-nitro-isophthalate

    24. Schembl561284

    25. 1, 5-nitro-, Dimethyl Ester

    26. Dtxsid3065403

    27. Ggtsjkfpgkflcz-uhfffaoysa-

    28. Dimethyl 5-nitroisophthalate 98+%

    29. Dimethyl 5-nitroisophthalate, 98%

    30. Dimethyl-5-nitroisophthalate

    31. Nsc93786

    32. Ac7851

    33. Stk387129

    34. Akos005441643

    35. Ac-8406

    36. Am85558

    37. Gs-5892

    38. Sy002380

    39. Db-029670

    40. Cs-0010338

    41. N0567

    42. Ns00005177

    43. En300-18049855

    44. 5-nitrobenzene-1,3-dicarboxylic Acid Dimethyl Ester

    45. W-108305

    46. Dimethyl 5-nitroisophthalate, Pestanal(r), Analytical Standard

    47. Inchi=1/c10h9no6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5h,1-2h3

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 239.18 g/mol
    Molecular Formula C10H9NO6
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area98.4
    Heavy Atom Count17
    Formal Charge0
    Complexity299
    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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        Blue Jet Healthcare is a global, science-driven pharmaceutical company specializing in collaboration, development, and manufacturing of advanced pharmaceutical intermediates and APIs. With 53 years of history, our expertise has significantly expanded, covering development, scale-up, and commercialization, now extending to contract development. Thanks to our consistent pipeline delivery and commercial execution, we have established long-term, extensive relationships with our customers.
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          Dimethyl-5-NitroIsophthalate
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