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    Technical details about 37908-97-7, learn more about the structure, uses, toxicity, action, side effects and more

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    37908-97-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37908-97-7, Benzoic acid, 3,5-dichloro-4-methoxy-, 3,5-dichloro-4-methoxybenzenecarboxylic acid, Mfcd00210404, 3,5-dichloro-4-methoxy-benzoic acid, 3,5-dichloro-4-methoxybenzoicacid
    Molecular Formula
    C8H6Cl2O3
    Molecular Weight
    221.03  g/mol
    InChI Key
    XSYZTYQXKIXPRC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dichloro-4-methoxybenzoic acid
    2.1.2 InChI
    InChI=1S/C8H6Cl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)
    2.1.3 InChI Key
    XSYZTYQXKIXPRC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1Cl)C(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 37908-97-7

    2. Benzoic Acid, 3,5-dichloro-4-methoxy-

    3. 3,5-dichloro-4-methoxybenzenecarboxylic Acid

    4. Mfcd00210404

    5. 3,5-dichloro-4-methoxy-benzoic Acid

    6. 3,5-dichloro-4-methoxybenzoicacid

    7. Ai3-33365

    8. Oprea1_229449

    9. Mls001048858

    10. Schembl1191343

    11. Chembl1905333

    12. 3,5-dichloro-4-methoxy-benzoate

    13. Dtxsid80191344

    14. Js-112c

    15. Xsyztyqxkixprc-uhfffaoysa-n

    16. Hms2269l24

    17. Amy28159

    18. Ck2190

    19. Akos000113910

    20. Ncgc00246241-01

    21. Smr000387063

    22. Sy081503

    23. Bb 0244156

    24. Cs-0099375

    25. Ft-0639730

    26. En300-14303

    27. A823932

    28. J-511291

    29. Z57441607

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 221.03 g/mol
    Molecular Formula C8H6Cl2O3
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area46.5
    Heavy Atom Count13
    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