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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1082040-43-4, 6-fluoro-1h-indole-4-carboxylic acid methyl ester, Mfcd11845444, 6-fluoro indole-4-methylcarboxylate, Methyl6-fluoro-1h-indole-4-carboxylate, Schembl20692462
    Molecular Formula
    C10H8FNO2
    Molecular Weight
    193.17  g/mol
    InChI Key
    CKFPLBCOOZCPOR-UHFFFAOYSA-N
    CAS 1082040-43-4
    1 2D Structure

    CAS 1082040-43-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 6-fluoro-1H-indole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
    2.1.3 InChI Key
    CKFPLBCOOZCPOR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=C2C=CNC2=CC(=C1)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1082040-43-4

    2. 6-fluoro-1h-indole-4-carboxylic Acid Methyl Ester

    3. Mfcd11845444

    4. 6-fluoro Indole-4-methylcarboxylate

    5. Methyl6-fluoro-1h-indole-4-carboxylate

    6. Schembl20692462

    7. Amy3368

    8. Dtxsid20676504

    9. Bcp16872

    10. Zinc43220634

    11. Akos015852318

    12. Cs-w022879

    13. Ds-5737

    14. Pb29866

    15. Ac-30113

    16. Da-19155

    17. Sy111605

    18. Ft-0750547

    2.3 Create Date
    2010-08-06
    3 Chemical and Physical Properties
    Molecular Weight 193.17 g/mol
    Molecular Formula C10H8FNO2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass193.05390666 g/mol
    Monoisotopic Mass193.05390666 g/mol
    Topological Polar Surface Area42.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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