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    CAS 2905-60-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2905-60-4, Benzoyl chloride, 2,3-dichloro-, Benzoyl chloride, dichloro-, Dichlorobenzoyl chloride, 2,3-dichlorobenzoylchloride, 25134-08-1
    Molecular Formula
    C7H3Cl3O
    Molecular Weight
    209.5  g/mol
    InChI Key
    YBONBWJSFMTXLE-UHFFFAOYSA-N
    FDA UNII
    I50F21PS1N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dichlorobenzoyl chloride
    2.1.2 InChI
    InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H
    2.1.3 InChI Key
    YBONBWJSFMTXLE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    I50F21PS1N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2905-60-4

    2. Benzoyl Chloride, 2,3-dichloro-

    3. Benzoyl Chloride, Dichloro-

    4. Dichlorobenzoyl Chloride

    5. 2,3-dichlorobenzoylchloride

    6. 25134-08-1

    7. I50f21ps1n

    8. Einecs 246-643-2

    9. Unii-i50f21ps1n

    10. Hsdb 5901

    11. Einecs 220-811-5

    12. Schembl93365

    13. 2,3-dichlorobenzoyl-chloride

    14. 2, 3-dichlorobenzoyl Chloride

    15. 2,3-dichloro-benzoyl Chloride

    16. Dtxsid9062697

    17. Ybonbwjsfmtxle-uhfffaoysa-n

    18. Mfcd00035937

    19. Akos009156529

    20. 2,3-dichlorobenzoyl Chloride, Aldrichcpr

    21. 2,3-dichlorobenzoyl Chloride [hsdb]

    22. D3206

    23. Ft-0609559

    24. 5d-108

    25. En300-1459122

    26. A819741

    27. W-107011

    28. Q27280449

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 209.5 g/mol
    Molecular Formula C7H3Cl3O
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area17.1
    Heavy Atom Count11
    Formal Charge0
    Complexity160
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1