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    CAS 88-67-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 88-67-5, O-iodobenzoic acid, Benzoic acid, 2-iodo-, Iodobenzoic acid, Benzoic acid, o-iodo-, Kyselina o-jodbenzoova
    Molecular Formula
    C7H5IO2
    Molecular Weight
    248.02  g/mol
    InChI Key
    CJNZAXGUTKBIHP-UHFFFAOYSA-N
    FDA UNII
    7Q00V80J7Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-iodobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
    2.1.3 InChI Key
    CJNZAXGUTKBIHP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C(=O)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    7Q00V80J7Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-iodobenzoic Acid, 123i-labeled

    2. 2-iodobenzoic Acid, 125i-labeled

    3. 2-iodobenzoic Acid, 131i-labeled

    4. 2-iodobenzoic Acid, Monosodium Salt

    5. 2-iodobenzoic Acid, Monosodium Salt, 131i-labeled

    6. 2-iodobenzoic Acid, Potassium Salt

    7. 2-iodobenzoic-(125)i Acid

    8. O-iodobenzoic-(125)i Acid

    9. Oisb

    10. Ortho-iodo-sodium Benzoate

    11. Progonasyl

    12. Sodium 2-iodobenzoate

    2.3.2 Depositor-Supplied Synonyms

    1. 88-67-5

    2. O-iodobenzoic Acid

    3. Benzoic Acid, 2-iodo-

    4. Iodobenzoic Acid

    5. Benzoic Acid, O-iodo-

    6. Kyselina O-jodbenzoova

    7. Usaf Ek-572

    8. 2-iodo Benzoic Acid

    9. 2-iodo-benzoic Acid

    10. Mfcd00002419

    11. O-jod-benzoesaeure

    12. 2-jod-benzoesaeure

    13. Chebi:287979

    14. 7q00v80j7q

    15. Nsc-3772

    16. Benzoic Acid, Iodo-

    17. Kyselina O-jodbenzoova [czech]

    18. Nsc 3772

    19. Einecs 201-850-7

    20. Brn 1861406

    21. Unii-7q00v80j7q

    22. Ai3-01811

    23. 1321-07-9

    24. 2iodobenzoic Acid

    25. 2-(iodo-(125)i)-benzoic Acid

    26. 2 Iodobenzoic Acid

    27. Ortho-iodobenzoic Acid

    28. Benzoic Acid, 2-iodo

    29. Ortho-iodo Benzoic Acid

    30. 2-iodobenzoicacid

    31. Maybridge1_001326

    32. Wln: Qvr Bi

    33. 2-iodobenzoic Acid, 98%

    34. Schembl40612

    35. Chembl112424

    36. Dtxsid6058976

    37. O-iodobenzoic Acid [mi]

    38. Hms545e06

    39. Zinc90931

    40. Nsc3772

    41. Act12259

    42. Cs-d0909

    43. Str04823

    44. Stk256890

    45. Akos000119657

    46. Bs-4598

    47. Ccg-233561

    48. Kyselina O-jodbenzoova2iodobenzoic Acid

    49. Ncgc00336388-01

    50. Ac-26054

    51. Sri-10864-03

    52. Sy001344

    53. Db-014123

    54. Am20041295

    55. Ft-0612665

    56. Ft-0659004

    57. I0053

    58. 2-iodobenzoic Acid, Purum, >=95.0% (gc)

    59. A20364

    60. Aa-506/30136037

    61. Q2535469

    62. W-100392

    63. 2-iodobenzoic Acid, >=99%, Purified By Sublimation

    64. F0001-2188

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 248.02 g/mol
    Molecular Formula C7H5IO2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass247.93343 g/mol
    Monoisotopic Mass247.93343 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1