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    CAS 3147-55-5

    PharmaCompass
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    2D Structure
    Also known as: 3,5-dibromo-2-hydroxybenzoic acid, 3147-55-5, Benzoic acid, 3,5-dibromo-2-hydroxy-, 2-hydroxy-3,5-dibromobenzoic acid, Salicylic acid, 3,5-dibromo-, T5jo5ua21h
    Molecular Formula
    C7H4Br2O3
    Molecular Weight
    295.91  g/mol
    InChI Key
    BFBZHSOXKROMBG-UHFFFAOYSA-N
    FDA UNII
    T5JO5UA21H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dibromo-2-hydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
    2.1.3 InChI Key
    BFBZHSOXKROMBG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1C(=O)O)O)Br)Br
    2.2 Other Identifiers
    2.2.1 UNII
    T5JO5UA21H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5-dbsa

    2.3.2 Depositor-Supplied Synonyms

    1. 3,5-dibromo-2-hydroxybenzoic Acid

    2. 3147-55-5

    3. Benzoic Acid, 3,5-dibromo-2-hydroxy-

    4. 2-hydroxy-3,5-dibromobenzoic Acid

    5. Salicylic Acid, 3,5-dibromo-

    6. T5jo5ua21h

    7. Chembl447448

    8. Nsc-1062

    9. Unii-t5jo5ua21h

    10. Nsc1062

    11. Nsc 1062

    12. Einecs 221-570-9

    13. Mfcd00002441

    14. Ai3-22145

    15. 3.5-dibromosalicylic Acid

    16. Salicylic Acid,5-dibromo-

    17. Oprea1_757968

    18. Schembl330545

    19. Dtxsid3062869

    20. Zinc57140

    21. 3,5-dibromo-2-hydroxybenzoicacid

    22. 3,5-dibromosalicylic Acid, 97%

    23. Dtxsid301184567

    24. Amy13368

    25. Benzoic Acid,5-dibromo-2-hydroxy-

    26. Str07330

    27. Bdbm50249792

    28. Stk299341

    29. Akos000121018

    30. Cs-w013981

    31. Ps-7157

    32. 3,5-dibromosalicylic Acid [mi]

    33. Ac-24839

    34. Db-048048

    35. Benzoic Acid,3,5-dibromo,2-hydroxy

    36. D1087

    37. Ft-0614521

    38. Ag-670/32485043

    39. Q223014

    40. J-018440

    41. 2,4-cyclohexadien-1-one, 2,4-dibromo-6-(dihydroxymethylene)-

    42. 509092-66-4

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 295.91 g/mol
    Molecular Formula C7H4Br2O3
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass295.85067 g/mol
    Monoisotopic Mass293.85272 g/mol
    Topological Polar Surface Area57.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity186
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1