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    CAS 19094-56-5

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    CAS 19094-56-5
    Also known as: 19094-56-5, Benzoic acid, 2-chloro-5-iodo-, 2-chloro-5-iodo-benzoic acid, Mfcd00079731, 2-chloro-5-iodobenzoicacid, Ec 606-224-0
    Molecular Formula
    C7H4ClIO2
    Molecular Weight
    282.46  g/mol
    InChI Key
    GEBYSTBEDVQOTK-UHFFFAOYSA-N
    1 2D Structure

    CAS 19094-56-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-5-iodobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
    2.1.3 InChI Key
    GEBYSTBEDVQOTK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1I)C(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 19094-56-5

    2. Benzoic Acid, 2-chloro-5-iodo-

    3. 2-chloro-5-iodo-benzoic Acid

    4. Mfcd00079731

    5. 2-chloro-5-iodobenzoicacid

    6. Ec 606-224-0

    7. 5-iodo-2-chlorobenzoic Acid

    8. Schembl305505

    9. Dtxsid00334099

    10. Act07777

    11. Cs-d1207

    12. Str08177

    13. Zinc2149847

    14. 2-chloro-5-iodobenzoic Acid, 97%

    15. Lt0050

    16. Stl377354

    17. Akos002341055

    18. Ac-3935

    19. Ps-7223

    20. Sy006737

    21. Db-014080

    22. Am20030244

    23. Ft-0611823

    24. A19981

    25. J-508849

    26. Z1416282584

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 282.46 g/mol
    Molecular Formula C7H4ClIO2
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass281.89445 g/mol
    Monoisotopic Mass281.89445 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
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