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    CAS 5326-47-6

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 5326-47-6, 5-iodoanthranilic acid, Benzoic acid, 2-amino-5-iodo-, Anthranilic acid, 5-iodo-, 2-amino-5-iodo-benzoic acid, Mfcd00007849
    Molecular Formula
    C7H6INO2
    Molecular Weight
    263.03  g/mol
    InChI Key
    GOLGILSVWFKZRQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-iodobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
    2.1.3 InChI Key
    GOLGILSVWFKZRQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1I)C(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5326-47-6

    2. 5-iodoanthranilic Acid

    3. Benzoic Acid, 2-amino-5-iodo-

    4. Anthranilic Acid, 5-iodo-

    5. 2-amino-5-iodo-benzoic Acid

    6. Mfcd00007849

    7. 5-iodoanthranil Acid

    8. 2-amino-5-iodobenzoicacid

    9. Nsc 302

    10. Einecs 226-205-7

    11. Brn 0639029

    12. 5-iodo Anthranilic Acid

    13. Unii-pm5qrb3p44

    14. 5-iodo-2-aminobenzoic Acid

    15. Timtec1_003193

    16. Pm5qrb3p44

    17. 2-amino-5-iodo Benzoic Acid

    18. 4-14-00-01084 (beilstein Handbook Reference)

    19. 5-iodo-2-amino Benzoic Acid

    20. 5-iodo-2-amino-benzoic Acid

    21. Schembl145394

    22. Nsc302

    23. Dtxsid1063776

    24. Zinc32335

    25. Nsc-302

    26. Hms1543b03

    27. 2-amino-5-iodobenzoic Acid, 97%

    28. Act00517

    29. Bcp22238

    30. Bbl027663

    31. Stk950820

    32. Akos000288894

    33. Cs-w002034

    34. Ac-28866

    35. As-14455

    36. Sy007113

    37. Db-024114

    38. Am20060946

    39. Bb 0244024

    40. Ft-0602792

    41. I0049

    42. 5-iodo-anthranilicaci;5-iodoanthranillic Acid

    43. A-6020

    44. A20148

    45. 326a476

    46. Z56754067

    47. F2191-0191

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 263.03 g/mol
    Molecular Formula C7H6INO2
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass262.94433 g/mol
    Monoisotopic Mass262.94433 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1