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    Technical details about CAS 4028-63-1 , learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 4028-63-1 

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    2D Structure
    Also known as: 4028-63-1, 2-iodomesitylene, 2-iodo-1,3,5-trimethylbenzene, Mesityl iodide, Iodomesitylene, Benzene, 2-iodo-1,3,5-trimethyl-
    Molecular Formula
    C9H11I
    Molecular Weight
    246.09  g/mol
    InChI Key
    GTPNXFKONRIHRW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-iodo-1,3,5-trimethylbenzene
    2.1.2 InChI
    InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
    2.1.3 InChI Key
    GTPNXFKONRIHRW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C(=C1)C)I)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-iodo-1,3,5-trimethylbenzene

    2. Iodomesitylene

    2.2.2 Depositor-Supplied Synonyms

    1. 4028-63-1

    2. 2-iodomesitylene

    3. 2-iodo-1,3,5-trimethylbenzene

    4. Mesityl Iodide

    5. Iodomesitylene

    6. Benzene, 2-iodo-1,3,5-trimethyl-

    7. Mfcd00013707

    8. Iodo-2,4,6-trimethylbenzene

    9. 1-iodo-2,4,6-trimethylbenzene

    10. Mesityliodide

    11. Jodmesitylen

    12. Mesityliodine

    13. Nsc68044

    14. Mesityliodine(iii)

    15. Einecs 223-709-9

    16. 2-iodo-1

    17. Maybridge1_002852

    18. Divk1c_001604

    19. Schembl760815

    20. Gtpnxfkonrihrw-uhfffaoysa-

    21. Hms549j14

    22. Dtxsid60193265

    23. 2-iodo-1,3,5-trimethyl-benzene

    24. 2-iodo-1,3,5-trimethylbenzene #

    25. Zinc1048861

    26. Ac1617

    27. Ccg-54594

    28. Nsc 68044

    29. Nsc-68044

    30. Akos015853821

    31. Cs-w007852

    32. Cds1_000564

    33. Ac-22945

    34. As-19323

    35. Cd 07694

    36. Sy029295

    37. Db-028116

    38. Am20040409

    39. Ft-0612679

    40. I0478

    41. 2-iodo-1,3,5-trimethyl-benzene;2-iodomesitylene

    42. A825033

    43. Sr-01000643683-1

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 246.09 g/mol
    Molecular Formula C9H11I
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass245.99055 g/mol
    Monoisotopic Mass245.99055 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity99.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1