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    BUILDING BLOCK

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    Chemistry

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    Also known as: 129050-26-6, 793669-26-8, (2r, 2's)-6-fluoro-2-(2'-oxiranyl)chromane, Schembl727761, Dtxsid50463328, Dtxsid201335177
    Molecular Formula
    C11H11FO2
    Molecular Weight
    194.20  g/mol
    InChI Key
    GVZDIJGBXSDSEP-MNOVXSKESA-N
    CAS 129050-26-6
    1 2D Structure

    CAS 129050-26-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-6-fluoro-2-[(2S)-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/t10-,11+/m1/s1
    2.1.3 InChI Key
    GVZDIJGBXSDSEP-MNOVXSKESA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1C3CO3
    2.1.5 Isomeric SMILES
    C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H]3CO3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 129050-26-6

    2. 793669-26-8

    3. (2r, 2's)-6-fluoro-2-(2'-oxiranyl)chromane

    4. Schembl727761

    5. Dtxsid50463328

    6. Dtxsid201335177

    7. Zinc35635767

    8. (r)-6-fluoro-2-[(s)-oxiran-2-yl]chroman

    9. A855312

    10. (2r)-6-fluoro-3,4-dihydro-2-[(2s)-2-oxiranyl]-2h-1-benzopyran

    11. (s)-2-[[(r)-6-fluoro-3,4-dihydro-2h-1-benzopyran]-2-yl]oxirane

    12. (2r)-rel-6-fluoro-3,4-dihydro-2-[(2s)-2-oxiranyl]-2h-1-benzopyran

    13. Rel-(2r)-6-fluoro-3,4-dihydro-2-[(2s)-2-oxiranyl]-2h-1-benzopyran

    2.3 Create Date
    2007-12-05
    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 Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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