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    CAS 58861-48-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 58861-48-6, 2-(4-fluorophenyl)-thiophene, 2-(4-fluoro-phenyl)-thiophene, 72tg563tmb, Canagliflozin related impurity 14, Mfcd06802535
    Molecular Formula
    C10H7FS
    Molecular Weight
    178.23  g/mol
    InChI Key
    PURJRGMZIKXDMW-UHFFFAOYSA-N
    FDA UNII
    72TG563TMB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-fluorophenyl)thiophene
    2.1.2 InChI
    InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
    2.1.3 InChI Key
    PURJRGMZIKXDMW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CSC(=C1)C2=CC=C(C=C2)F
    2.2 Other Identifiers
    2.2.1 UNII
    72TG563TMB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 58861-48-6

    2. 2-(4-fluorophenyl)-thiophene

    3. 2-(4-fluoro-phenyl)-thiophene

    4. 72tg563tmb

    5. Canagliflozin Related Impurity 14

    6. Mfcd06802535

    7. Thiophene, 2-(4-fluorophenyl)-

    8. 4-fluorophenylthiphene

    9. Ec 611-756-1

    10. Unii-72tg563tmb

    11. Schembl154088

    12. Amy8652

    13. Dtxsid60619591

    14. Bcp22383

    15. Cs-m2131

    16. Zinc8764139

    17. Bbl103247

    18. Geo-03158

    19. Stl557057

    20. Akos004118865

    21. Pb10393

    22. Ac-29154

    23. Ds-15181

    24. Sy042584

    25. Db-013907

    26. Bb 0223633

    27. F0724

    28. Ft-0657107

    29. P10422

    30. 861f486

    31. A832044

    32. J-505998

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 178.23 g/mol
    Molecular Formula C10H7FS
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass178.02524956 g/mol
    Monoisotopic Mass178.02524956 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1