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    CAS 451-82-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 451-82-1, 2-(2-fluorophenyl)acetic acid, O-fluorophenylacetic acid, Benzeneacetic acid, 2-fluoro-, 2-fluorophenyl acetic acid, 2-fluorobenzeneacetic acid
    Molecular Formula
    C8H7FO2
    Molecular Weight
    154.14  g/mol
    InChI Key
    RPTRFSADOICSSK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-fluorophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
    2.1.3 InChI Key
    RPTRFSADOICSSK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)CC(=O)O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 451-82-1

    2. 2-(2-fluorophenyl)acetic Acid

    3. O-fluorophenylacetic Acid

    4. Benzeneacetic Acid, 2-fluoro-

    5. 2-fluorophenyl Acetic Acid

    6. 2-fluorobenzeneacetic Acid

    7. (2-fluorophenyl)acetic Acid

    8. Mfcd00004315

    9. Acetic Acid, (o-fluorophenyl)-

    10. Nsc 401

    11. Einecs 207-196-9

    12. 2fluorophenylacetic Acid

    13. Ai3-52626

    14. Unii-x2w3c5er3n

    15. Schembl8645

    16. X2w3c5er3n

    17. Nsc401

    18. Dtxsid1060007

    19. 2-fluorophenylacetic Acid, 98%

    20. Bdbm16422

    21. Amy8707

    22. Nsc-401

    23. Zinc388687

    24. Act12853

    25. Stl169023

    26. Akos000120439

    27. Ac-2853

    28. Bs-3849

    29. Cs-w020118

    30. Sy003125

    31. Db-051274

    32. F0205

    33. Ft-0612447

    34. A22006

    35. F-6370

    36. F2191-0060

    37. Z1258992614

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 154.14 g/mol
    Molecular Formula C8H7FO2
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass154.04300762 g/mol
    Monoisotopic Mass154.04300762 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity147
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1