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    CAS 149437-76-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 149437-76-3, 5-(4-fluorophenyl)-5-oxopentanoic acid, 5-(4-fluorophenyl)-5-oxovaleric acid, 4-fluorophenyl-5'-oxobutyric acid, Mfcd00667222, 5-(4'-fluorophenyl)-5-oxopentanoic acid
    Molecular Formula
    C11H11FO3
    Molecular Weight
    210.20  g/mol
    InChI Key
    ZBQROUOOMAMCQW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(4-fluorophenyl)-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
    2.1.3 InChI Key
    ZBQROUOOMAMCQW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)CCCC(=O)O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 149437-76-3

    2. 5-(4-fluorophenyl)-5-oxopentanoic Acid

    3. 5-(4-fluorophenyl)-5-oxovaleric Acid

    4. 4-fluorophenyl-5'-oxobutyric Acid

    5. Mfcd00667222

    6. 5-(4'-fluorophenyl)-5-oxopentanoic Acid

    7. 4-(4-fluorobenzoyl)-butyric Acid

    8. 5-(4-fluoro-phenyl)-5-oxo-pentanoic Acid

    9. 4-(4-fluorobenzoyl)butyricacid

    10. 4-fluorobenzoylbutyric Acid

    11. 4-fluorophenyl-5-oxopentanoic Acid

    12. 4-(4'-fluorobenzoyl) Butyric Acid

    13. 4-(4-fluorobenzoyl)-1-butanoic Acid

    14. Oprea1_166432

    15. 4-fluoro Benzoyl Butyric Acid

    16. Schembl296337

    17. Zinc58260

    18. Dtxsid40351048

    19. 4-(4'-fluorophenyl)butyric Acid

    20. 4-(4-fluoro Benzoyl) Butyric Acid

    21. 4-(4-fluoro-benzoyl)-butyric Acid

    22. Act03568

    23. Bcp18926

    24. Akos005254813

    25. 4-fluoro-delta-oxobenzenepentanoic Acid

    26. Cs-w015119

    27. Ps-8016

    28. 5-(p-fluorophenyl)-5-oxo-pentanoic Acid

    29. Ac-11387

    30. Sy019248

    31. Benzenepentanoic Acid, 4-fluoro-delta-oxo-

    32. Am20061151

    33. F0476

    34. Ft-0604776

    35. En300-37191

    36. F11424

    37. 437f763

    38. A1-00090

    39. Q-200520

    40. Z381429060

    41. 5-(4'-(bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1h-tetrazole

    2.3 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 210.20 g/mol
    Molecular Formula C11H11FO3
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass210.06922237 g/mol
    Monoisotopic Mass210.06922237 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity232
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1