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    BUILDING BLOCK

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    Chemistry

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    Also known as: 29568-76-1, Benzoyl chloride, 3,5-dichloro-4-methoxy-, 3,5-dichloro-4-methoxy-benzoyl chloride, Schembl985523, Dtxsid80397026, Xwigdnqzkuvsqd-uhfffaoysa-n
    Molecular Formula
    C8H5Cl3O2
    Molecular Weight
    239.5  g/mol
    InChI Key
    XWIGDNQZKUVSQD-UHFFFAOYSA-N
    CAS 29568-76-1
    1 2D Structure

    CAS 29568-76-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dichloro-4-methoxybenzoyl chloride
    2.1.2 InChI
    InChI=1S/C8H5Cl3O2/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3
    2.1.3 InChI Key
    XWIGDNQZKUVSQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1Cl)C(=O)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29568-76-1

    2. Benzoyl Chloride, 3,5-dichloro-4-methoxy-

    3. 3,5-dichloro-4-methoxy-benzoyl Chloride

    4. Schembl985523

    5. Dtxsid80397026

    6. Xwigdnqzkuvsqd-uhfffaoysa-n

    7. Ac5825

    8. Mfcd02063082

    9. Akos000289066

    10. As-65246

    11. Bb 0244158

    12. Ft-0742626

    13. J-017567

    2.3 Create Date
    2005-09-11
    3 Chemical and Physical Properties
    Molecular Weight 239.5 g/mol
    Molecular Formula C8H5Cl3O2
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    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

    BUILDING BLOCK

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