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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 188815-32-9, Benzoic acid, 3-bromo-5-iodo-, Mfcd00191851, 3-bromo-5-iodo-benzoic acid, 3-bromo-5-iodobenzoicacid, 3-bromo-5-iodobenzoic aicd
    Molecular Formula
    C7H4BrIO2
    Molecular Weight
    326.91  g/mol
    InChI Key
    MKJBJYCBKXPQSY-UHFFFAOYSA-N
    CAS 188815-32-9
    1 2D Structure

    CAS 188815-32-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromo-5-iodobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
    2.1.3 InChI Key
    MKJBJYCBKXPQSY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1Br)I)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 188815-32-9

    2. Benzoic Acid, 3-bromo-5-iodo-

    3. Mfcd00191851

    4. 3-bromo-5-iodo-benzoic Acid

    5. 3-bromo-5-iodobenzoicacid

    6. 3-bromo-5-iodobenzoic Aicd

    7. 3-bromo-5-iodo Benzoic Acid

    8. 5-iodo-3-bromo-benzoic Acid

    9. Schembl200827

    10. Dtxsid90409240

    11. Zinc156377

    12. 3-bromo-5-iodobenzoic Acid, 97%

    13. Act00921

    14. Amy30945

    15. Akos005256962

    16. Ab04625

    17. Ac-3914

    18. Cs-w011977

    19. Ps-7026

    20. Sy008050

    21. Db-008836

    22. A4174

    23. Ft-0615179

    24. J-512024

    25. Z2065464170

    2.3 Create Date
    2005-09-26
    3 Chemical and Physical Properties
    Molecular Weight 326.91 g/mol
    Molecular Formula C7H4BrIO2
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass325.84394 g/mol
    Monoisotopic Mass325.84394 g/mol
    Topological Polar Surface Area37.3 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

    BUILDING BLOCK

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