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    Chemistry

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    Also known as: 99199-62-9, Rac 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-methanol, (6-fluorochroman-2-yl)methanol, (6-fluoro-3,4-dihydro-2h-chromen-2-yl)methanol, Starbld0001380, Schembl935303
    Molecular Formula
    C10H11FO2
    Molecular Weight
    182.19  g/mol
    InChI Key
    HAIDNNYCHKHYHX-UHFFFAOYSA-N
    CAS 99199-62-9
    1 2D Structure

    CAS 99199-62-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol
    2.1.2 InChI
    InChI=1S/C10H11FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h2,4-5,9,12H,1,3,6H2
    2.1.3 InChI Key
    HAIDNNYCHKHYHX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 99199-62-9

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

    3. (6-fluorochroman-2-yl)methanol

    4. (6-fluoro-3,4-dihydro-2h-chromen-2-yl)methanol

    5. Starbld0001380

    6. Schembl935303

    7. Dtxsid80472645

    8. Akos037505729

    9. Da-00039

    10. Ft-0668632

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 182.19 g/mol
    Molecular Formula C10H11FO2
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass182.07430775 g/mol
    Monoisotopic Mass182.07430775 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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