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    CAS 25026-34-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 25026-34-0, 2-(4-chlorophenyl)acetyl chloride, P-chlorophenylacetyl chloride, 4-chlorobenzeneacetyl chloride, Benzeneacetyl chloride, 4-chloro-, 4-chlorobenzeneacetylchloride
    Molecular Formula
    C8H6Cl2O
    Molecular Weight
    189.04  g/mol
    InChI Key
    UMQUIRYNOVNYPA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chlorophenyl)acetyl chloride
    2.1.2 InChI
    InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
    2.1.3 InChI Key
    UMQUIRYNOVNYPA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC(=O)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 25026-34-0

    2. 2-(4-chlorophenyl)acetyl Chloride

    3. P-chlorophenylacetyl Chloride

    4. 4-chlorobenzeneacetyl Chloride

    5. Benzeneacetyl Chloride, 4-chloro-

    6. 4-chlorobenzeneacetylchloride

    7. (4-chlorophenyl)acetyl Chloride

    8. 4-chlorophenylacetic Acid Chloride

    9. Einecs 246-571-1

    10. Mfcd00037111

    11. 4-chlorophenylacetylchloride

    12. 4-chlorobenzenacetyl Chloride

    13. Schembl76050

    14. P-chlorophenyl-acetyl Chloride

    15. (4-chlorophenyl)acetylchloride

    16. 4-chloro-phenylacetyl Chloride

    17. 4-chlorophenyl Acetyl Chloride

    18. 4-chlorophenyl-acetyl Chloride

    19. 4-chloro Phenyl Acetyl Chloride

    20. (4-chlorophenyl)-acetyl Chloride

    21. 2-(4-chlorophenyl)acetylchloride

    22. Dtxsid10179736

    23. (4-chloro-phenyl)-acetyl Chloride

    24. 4-chlorobenzeneacetic Acid Chloride

    25. Act03055

    26. Zinc2168258

    27. 4-chlorophenylacetyl Chloride, 97%

    28. Akos001322484

    29. Amy202100060

    30. As-54507

    31. Db-046606

    32. Ft-0618249

    33. S10930

    34. 026c340

    35. W-107269

    36. F2190-0111

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 189.04 g/mol
    Molecular Formula C8H6Cl2O
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass187.9795702 g/mol
    Monoisotopic Mass187.9795702 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity139
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1