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    Chemistry

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    Also known as: 22445-41-6, 5-iodo-m-xylene, 1,3-dimethyl-5-iodobenzene, 3,5-dimethyliodobenzene, Benzene, 1-iodo-3,5-dimethyl-, Mfcd00060659
    Molecular Formula
    C8H9I
    Molecular Weight
    232.06  g/mol
    InChI Key
    ZLMKEENUYIUKKC-UHFFFAOYSA-N
    CAS 22445-41-6 
    1 2D Structure

    CAS 22445-41-6 

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-iodo-3,5-dimethylbenzene
    2.1.2 InChI
    InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
    2.1.3 InChI Key
    ZLMKEENUYIUKKC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC(=C1)I)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 22445-41-6

    2. 5-iodo-m-xylene

    3. 1,3-dimethyl-5-iodobenzene

    4. 3,5-dimethyliodobenzene

    5. Benzene, 1-iodo-3,5-dimethyl-

    6. Mfcd00060659

    7. 3,5-dimethyl-1-iodobenzene

    8. Schembl79108

    9. 1-iodo-3,5- Dimethylbenzene

    10. 1-iodo-3,5-dimethyl-benzene

    11. Amy605

    12. 1-iodo-3,5-dimethylbenzene #

    13. Dtxsid90176985

    14. Str09819

    15. Zinc2528198

    16. 1-iodo-3,5-dimethylbenzene, 99%

    17. Akos005145655

    18. Cs-w014173

    19. Sb66362

    20. Sy016399

    21. Db-030740

    22. Ft-0620516

    23. I0548

    24. 4-(4-methoxy-phenylsulfamoyl)-benzoicacid

    25. A816213

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 232.06 g/mol
    Molecular Formula C8H9I
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass231.97490 g/mol
    Monoisotopic Mass231.97490 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity80.6
    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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