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    Chemistry

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    Also known as: 399-72-4, 5-fluoro-2-methyl-1h-indole, 1h-indole, 5-fluoro-2-methyl-, Mfcd02093649, 2-methyl-5-fluoroindole, 5-fluoro-2-methyl indole
    Molecular Formula
    C9H8FN
    Molecular Weight
    149.16  g/mol
    InChI Key
    JJIUISYYTFDATN-UHFFFAOYSA-N
    CAS 399-72-4
    1 2D Structure

    CAS 399-72-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-fluoro-2-methyl-1H-indole
    2.1.2 InChI
    InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
    2.1.3 InChI Key
    JJIUISYYTFDATN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(N1)C=CC(=C2)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 399-72-4

    2. 5-fluoro-2-methyl-1h-indole

    3. 1h-indole, 5-fluoro-2-methyl-

    4. Mfcd02093649

    5. 2-methyl-5-fluoroindole

    6. 5-fluoro-2-methyl Indole

    7. 5-fluoro-2-methyl-indole

    8. Schembl12433

    9. 5-fluoro-2-methylindole, 97%

    10. Dtxsid30381091

    11. Kuc106615n

    12. Zinc403325

    13. Ksc-09-215d

    14. Akos005258120

    15. Cs-w007738

    16. Pb29177

    17. Ps-6821

    18. Db-012447

    19. A6672

    20. Am20050248

    21. F1047

    22. Ft-0602023

    23. J3.660.199j

    24. F-5913

    25. Z1655104238

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 149.16 g/mol
    Molecular Formula C9H8FN
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass149.064077422 g/mol
    Monoisotopic Mass149.064077422 g/mol
    Topological Polar Surface Area15.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity149
    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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