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    CAS 615-43-0

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    CAS 615-43-0
    Also known as: 615-43-0, O-iodoaniline, 2-iodobenzenamine, Benzenamine, 2-iodo-, 2-iodo aniline, O-aminoiodobenzene
    Molecular Formula
    C6H6IN
    Molecular Weight
    219.02  g/mol
    InChI Key
    UBPDKIDWEADHPP-UHFFFAOYSA-N
    1 2D Structure

    CAS 615-43-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-iodoaniline
    2.1.2 InChI
    InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
    2.1.3 InChI Key
    UBPDKIDWEADHPP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)N)I
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-iodobenzenamine

    2.2.2 Depositor-Supplied Synonyms

    1. 615-43-0

    2. O-iodoaniline

    3. 2-iodobenzenamine

    4. Benzenamine, 2-iodo-

    5. 2-iodo Aniline

    6. O-aminoiodobenzene

    7. Aniline, O-iodo-

    8. Aniline, 2-iodo-

    9. Benzenamine, Iodo-

    10. Mfcd00007680

    11. 2-iodo-phenylamine

    12. Nsc34544

    13. Nsc 34544

    14. Nsc-34544

    15. 2-iodaniline

    16. 2-iodo-aniline

    17. O-iodophenyl Amine

    18. Einecs 210-426-0

    19. 2-iodoaniline, 98%

    20. Ai3-00493

    21. Schembl74028

    22. Dtxsid5060649

    23. Zinc157582

    24. Act07811

    25. Bbl011389

    26. Stl146491

    27. Akos000119174

    28. Nsc34544nsc 34544

    29. O-iodoaniline; 1-amino-2-iodobenzene

    30. Ac-1253

    31. Cs-w007318

    32. Hy-w007318

    33. Ps-4064

    34. Sy005096

    35. 2-iodoaniline, Purum, >=98.0% (gc)

    36. Db-006169

    37. Am20040864

    38. Ft-0601338

    39. I0046

    40. 15i430

    41. A19769

    42. Ah-034/32850056

    43. J-802087

    44. W-105136

    45. F3284-8050

    46. Z219997432

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 219.02 g/mol
    Molecular Formula C6H6IN
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass218.95450 g/mol
    Monoisotopic Mass218.95450 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity74.9
    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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