Please Wait
Applying Filters...
menu
    • menu
    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    Virtual Booth

    Contact Supplier

    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

    Virtual Booth

    Contact Supplier

    Moehs Group, a reference company in the production of pharmaceutical active ingredients.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    CAS 101987-86-4

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 101987-86-4, Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate, Ethyl beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate, Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate, Ambz0381
    Molecular Formula
    C11H8ClF3O3
    Molecular Weight
    280.63  g/mol
    InChI Key
    LZMXLCPYJNRWNQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
    2.1.2 InChI
    InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
    2.1.3 InChI Key
    LZMXLCPYJNRWNQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 101987-86-4

    2. Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate

    3. Ethyl Beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate

    4. Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

    5. Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate

    6. Ambz0381

    7. Schembl3190199

    8. Dtxsid90448957

    9. Bcp10400

    10. Ab2837

    11. Mfcd09037898

    12. Zinc22006763

    13. 3-(3-chloro-2,4,5-trifluoro-phenyl)-3-oxo-propionic Acid Ethyl Ester

    14. Akos005762853

    15. Am85449

    16. Ac-22721

    17. Ds-15133

    18. Db-001363

    19. Ft-0697180

    20. 987e864

    21. J-520862

    22. 3-chloro-2,4,5-trifluoro-beta-oxo-benzenepropanoic Acid Ethyl Ester

    23. Benzenepropanoic Acid, 3-chloro-2,4,5-trifluoro-beta-oxo-, Ethyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 280.63 g/mol
    Molecular Formula C11H8ClF3O3
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass280.0114063 g/mol
    Monoisotopic Mass280.0114063 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity327
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1