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    CAS 99199-90-3

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 99199-90-3, 6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran, 197706-51-7, 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-chromene, 6-fluoro-2-(oxiran-2-yl)chromane, 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-1-benzopyran
    Molecular Formula
    C11H11FO2
    Molecular Weight
    194.20  g/mol
    InChI Key
    GVZDIJGBXSDSEP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
    2.1.2 InChI
    InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2
    2.1.3 InChI Key
    GVZDIJGBXSDSEP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1C3CO3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 99199-90-3

    2. 6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

    3. 197706-51-7

    4. 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-chromene

    5. 6-fluoro-2-(oxiran-2-yl)chromane

    6. 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-1-benzopyran

    7. Nebivolol Impurity 4

    8. 6-fluoro-3,4-dihydro-2-(2-oxiranyl)-2h-1-benzopyran

    9. Schembl965195

    10. Dtxsid40470147

    11. Amy33403

    12. Bcp14120

    13. Zb1812

    14. Akos006307171

    15. Db-031558

    16. Ft-0654423

    17. Ft-0668675

    18. Ft-0668676

    19. Ft-0778639

    20. Ft-0778640

    21. D87510

    22. Ec 606-373-1

    23. Fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

    24. 199f903

    25. A845980

    26. 6-fluoro-2-oxiranyl-3,4-dihydro-2h-1-benzopyran

    27. 6-fluoro-3, 4-dihydro-2-oxiranyl-2h-1-benzopyran

    28. Q-200005

    29. 6-fluoranyl-2-(oxiran-2-yl)-3,4-dihydro-2h-chromene

    30. 6-fluoro-2-(2-oxiranyl)-3,4-dihydro-2h-1-benzopyran

    31. (-)-(r,r)-6-fluoro-3,4-dihydro-2-(2-oxiranyl)-2h-1-benzopyran

    32. (+/-)-(r*,r* And R*,s*)-6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 194.20 g/mol
    Molecular Formula C11H11FO2
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass194.07430775 g/mol
    Monoisotopic Mass194.07430775 g/mol
    Topological Polar Surface Area21.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1