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    4521-61-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4521-61-3, Benzoyl chloride, 3,4,5-trimethoxy-, Trimethylgalloyl chloride, Tri-o-methylgalloyl chloride, 3,4,5-trimethoxybenzoylchloride, Mfcd00000675
    Molecular Formula
    C10H11ClO4
    Molecular Weight
    230.64  g/mol
    InChI Key
    BUHYMJLFRZAFBF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4,5-trimethoxybenzoyl chloride
    2.1.2 InChI
    InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
    2.1.3 InChI Key
    BUHYMJLFRZAFBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)C(=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4521-61-3

    2. Benzoyl Chloride, 3,4,5-trimethoxy-

    3. Trimethylgalloyl Chloride

    4. Tri-o-methylgalloyl Chloride

    5. 3,4,5-trimethoxybenzoylchloride

    6. Mfcd00000675

    7. Einecs 224-851-4

    8. Nsc 91023

    9. Nciopen2_005468

    10. Schembl219096

    11. 3,5-trimethoxybenzoyl Chloride

    12. Dtxsid2063507

    13. 3,4,5-trimethoxy-benzoylchloride

    14. 3,4,5-trimethoxybenzoyl-chloride

    15. Benzoyl Chloride,4,5-trimethoxy-

    16. 3,4,5-trimethoxy-benzoyl Chloride

    17. 3,4,5-trimethoxybenzoyl Chloride;

    18. Nsc91023

    19. Nsc-91023

    20. 3.4.5-trimethoxybenzoic Acid Chloride

    21. Akos000268689

    22. 3,4,5-trimethoxybenzoyl Chloride, 98%

    23. Sy049734

    24. Vs-02936

    25. Ft-0614166

    26. T1842

    27. En300-19837

    28. W-109981

    29. F2190-0056

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 230.64 g/mol
    Molecular Formula C10H11ClO4
    XLogP32.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area44.8
    Heavy Atom Count15
    Formal Charge0
    Complexity208
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1