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    Technical details about CAS 194805-07-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 194805-07-7

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 194805-07-7, Ethyl 7-bromo-1-cyclopropyl-8-difluoromethoxy-1,4-dihydro-4-oxoquinoline-3-carboxylate, 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester, Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylate, Ec 438-080-8, Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydro-3-quinolinecarboxylate
    Molecular Formula
    C16H14BrF2NO4
    Molecular Weight
    402.19  g/mol
    InChI Key
    ZVUUANRFLJIZGV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylate
    2.1.2 InChI
    InChI=1S/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3
    2.1.3 InChI Key
    ZVUUANRFLJIZGV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)Br)C3CC3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 194805-07-7

    2. Ethyl 7-bromo-1-cyclopropyl-8-difluoromethoxy-1,4-dihydro-4-oxoquinoline-3-carboxylate

    3. 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester

    4. Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylate

    5. Ec 438-080-8

    6. Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydro-3-quinolinecarboxylate

    7. Schembl2081998

    8. Dtxsid50471266

    9. Bcp08316

    10. Zinc34654740

    11. Akos016007560

    12. Sb18232

    13. Bs-49482

    14. E76051

    15. 805b077

    16. Bromo-1-cyclopropyl-8-difluoromethoxy-4-oxo-1,4-dihydro-3-quinoline-carboxylate

    17. Ethyl 7-bromo-1-cyclopropyl-8-difluoromethoxy-1, 4-dihydro-4-oxoquinoline-3-carboxylate

    18. 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Ethyl Ester

    19. Ethyl-7-bromo-1-cyclopropyl-8-difluoromethoxy-1,4-dihydro-4-oxoquinoline-3-carboxylate

    20. Ethyl7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 402.19 g/mol
    Molecular Formula C16H14BrF2NO4
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass401.00743 g/mol
    Monoisotopic Mass401.00743 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity552
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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