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    Technical details about CAS 56961-25-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 56961-25-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 56961-25-2, 3,5-dichloro-4-aminobenzoic acid, Benzoic acid, 4-amino-3,5-dichloro-, 4-amino-3,5-dichlorobenzoicacid, Bik7ns3b2f, Nsc-100894
    Molecular Formula
    C7H5Cl2NO2
    Molecular Weight
    206.02  g/mol
    InChI Key
    UHXYYTSWBYTDPD-UHFFFAOYSA-N
    FDA UNII
    BIK7NS3B2F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-3,5-dichlorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
    2.1.3 InChI Key
    UHXYYTSWBYTDPD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1Cl)N)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    BIK7NS3B2F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 56961-25-2

    2. 3,5-dichloro-4-aminobenzoic Acid

    3. Benzoic Acid, 4-amino-3,5-dichloro-

    4. 4-amino-3,5-dichlorobenzoicacid

    5. Bik7ns3b2f

    6. Nsc-100894

    7. Nab-930

    8. Einecs 260-468-9

    9. Unii-bik7ns3b2f

    10. Brn 2805751

    11. Ai3-33338

    12. 4-amino-3,5-dichloro-benzoic Acid

    13. Mfcd00017091

    14. Nsc100894

    15. Nciopen2_006893

    16. 4-14-00-01279 (beilstein Handbook Reference)

    17. Schembl285092

    18. Dtxsid30205526

    19. Zinc156654

    20. 4-amino-3,5-dichloro Benzoic Acid

    21. Act08051

    22. Bbl018964

    23. Stk947691

    24. 4-amino-3,5-dichlorobenzoic Acid #

    25. 2-amino-5-chlorobenzo[d]oxazol-6-ol

    26. Akos005061326

    27. Am84172

    28. Cs-w015355

    29. Nsc 100894

    30. Sb77417

    31. 4-amino-3,5-dichlorobenzoic Acid, 98%

    32. As-19419

    33. Db-022019

    34. Ft-0602527

    35. Q27274687

    36. Z1695797877

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 206.02 g/mol
    Molecular Formula C7H5Cl2NO2
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass204.9697338 g/mol
    Monoisotopic Mass204.9697338 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity176
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1