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    CAS 20555-91-3

    PharmaCompass
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    2D Structure
    Also known as: 20555-91-3, 3,4-dichloroiodobenzene, Benzene, 1,2-dichloro-4-iodo-, M6au4abw4l, Maybridge1_001437, Einecs 243-874-0
    Molecular Formula
    C6H3Cl2I
    Molecular Weight
    272.89  g/mol
    InChI Key
    NADPFZNWCQIJJW-UHFFFAOYSA-N
    FDA UNII
    M6AU4ABW4L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2-dichloro-4-iodobenzene
    2.1.2 InChI
    InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
    2.1.3 InChI Key
    NADPFZNWCQIJJW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1I)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    M6AU4ABW4L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 20555-91-3

    2. 3,4-dichloroiodobenzene

    3. Benzene, 1,2-dichloro-4-iodo-

    4. M6au4abw4l

    5. Maybridge1_001437

    6. Einecs 243-874-0

    7. Unii-m6au4abw4l

    8. 3,4-dichloro-iodobenzene

    9. 1,2-dichloro-5-iodobenzene

    10. 1-iodo-3,4-dichlorobenzene

    11. 3,4-dichloro-1-iodobenzene

    12. 4-iodo-1,2-dichlorobenzene

    13. Schembl80565

    14. 1,2-dichloro-4-iodo-benzene

    15. 3,4-dichloroiodobenzene, 98%

    16. Dtxsid9066625

    17. Hms545j07

    18. Zinc91479

    19. Act07585

    20. Mfcd00019014

    21. Akos009156522

    22. Ac-9702

    23. Am61836

    24. Cs-w014025

    25. As-19440

    26. Db-021866

    27. D1436

    28. Ft-0614252

    29. A20568

    30. W-206532

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 272.89 g/mol
    Molecular Formula C6H3Cl2I
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass271.86565 g/mol
    Monoisotopic Mass271.86565 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity97.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1