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    CAS 37441-29-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37441-29-5, 5-amino-2,4,6-triiodoisophthaloyl chloride, 5-amino-2,4,6- triiodisophthaloyl acid dichloride, 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride, 5-amino-2,4,6-triiodo-isophtaloyl dichloride, 5-amino-2,4,6-triiodisophthaloyl acid dichloride
    Molecular Formula
    C8H2Cl2I3NO2
    Molecular Weight
    595.72  g/mol
    InChI Key
    FBJVWRITWDYUAC-UHFFFAOYSA-N
    FDA UNII
    9OP12587AJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
    2.1.2 InChI
    InChI=1S/C8H2Cl2I3NO2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h14H2
    2.1.3 InChI Key
    FBJVWRITWDYUAC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9OP12587AJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 37441-29-5

    2. 5-amino-2,4,6-triiodoisophthaloyl Chloride

    3. 5-amino-2,4,6- Triiodisophthaloyl Acid Dichloride

    4. 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl Chloride

    5. 5-amino-2,4,6-triiodo-isophtaloyl Dichloride

    6. 5-amino-2,4,6-triiodisophthaloyl Acid Dichloride

    7. 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylic Acid Dichloride

    8. 9op12587aj

    9. 3,5-bis(chlorocarbonyl)-2,4,6-triiodobenzenamine

    10. 1,3-benzenedicarbonyl Dichloride, 5-amino-2,4,6-triiodo-

    11. Iohexol Impurity L [ep]

    12. Unii-9op12587aj

    13. 5-amino-2,4,6-triiodisophthaloyl Dichloride

    14. 5-amino-2,4,6-triiodo-1,3-benzenedicarbonyldichloride

    15. Coumarin152

    16. Ec 417-220-1

    17. Schembl620188

    18. 1,3-benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo-

    19. Dtxsid20190891

    20. Bcp09381

    21. Mfcd00270836

    22. Zinc77271477

    23. Akos015894293

    24. Ac-8410

    25. Iohexol Impurity L [ep Impurity]

    26. As-15641

    27. 5-amino-2,4,6-triodoisophthalolylchloride

    28. 5-amino-2,4,6-triiodoisophthaloyldichloride

    29. Ft-0639373

    30. 5-amino-2,4,6-triiodo Isophthaloyl Chloride

    31. 5-amino-2,4,6-triiodo-isophthaloyl Dichloride

    32. 2,4,6-triiodo-5-aminoisophthalic Acid Dichloride

    33. 441a295

    34. 5-amino-2,4,6-triiodoisophthalic Acid Dichloride

    35. A823652

    36. 2,4,6-triiodo-5-amino-isophthalic Acid Dichloride

    37. 5-amino-2,4,6-triiodo-isophthalic Acid Dichloride

    38. 5-amino-2,4,6-triiodo-isophthalic Acid-dichloride

    39. Q27272835

    40. 5-azanyl-2,4,6-tris(iodanyl)benzene-1,3-dicarbonyl Chloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 595.72 g/mol
    Molecular Formula C8H2Cl2I3NO2
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass594.6597 g/mol
    Monoisotopic Mass594.6597 g/mol
    Topological Polar Surface Area60.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity290
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1