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    CAS-3874-54-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3874-54-2, 4-chloro-1-(4-fluorophenyl)butan-1-one, 3-(4-fluorobenzoyl)propyl chloride, 3-chloropropyl 4-fluorophenyl ketone, 4'-fluoro-4-chlorobutyrophenone, 4-fluorobenzoylpropyl chloride
    Molecular Formula
    C10H10ClFO
    Molecular Weight
    200.64  g/mol
    InChI Key
    HXAOUYGZEOZTJO-UHFFFAOYSA-N
    FDA UNII
    FVL03C7JRR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-1-(4-fluorophenyl)butan-1-one
    2.1.2 InChI
    InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
    2.1.3 InChI Key
    HXAOUYGZEOZTJO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)CCCCl)F
    2.2 Other Identifiers
    2.2.1 UNII
    FVL03C7JRR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3874-54-2

    2. 4-chloro-1-(4-fluorophenyl)butan-1-one

    3. 3-(4-fluorobenzoyl)propyl Chloride

    4. 3-chloropropyl 4-fluorophenyl Ketone

    5. 4'-fluoro-4-chlorobutyrophenone

    6. 4-fluorobenzoylpropyl Chloride

    7. 4-chloro-p-fluorobutyrophenone

    8. 4-chloro-4-fluorobutyrophenone

    9. 1-butanone, 4-chloro-1-(4-fluorophenyl)-

    10. P-fluorobenzoylpropyl Chloride

    11. Butyrophenone, 4-chloro-4'-fluoro-

    12. P-fluoro-4-chlorobutyrophenone

    13. 3-chloro-4'-fluorobutyrophenone

    14. Gamma-chloro-p-fluorobutyrophenone

    15. 3-(p-fluorobenzoyl)propyl Chloride

    16. Mfcd00001007

    17. 3-chloropropyl 4'-fluorophenyl Ketone

    18. 4-(p-fluorophenyl)-4-oxobutyl Chloride

    19. 4-(4-fluorophenyl)-4-oxobutyl Chloride

    20. .gamma.-chloro-p-fluorobutyrophenone

    21. Nsc 87082

    22. Fvl03c7jrr

    23. 4-chloro-1-(4-fluorophenyl)-1-butanone

    24. 4-chloro-1-(4-fluorophenyl)-1-oxobutane

    25. Dtxsid3057729

    26. .gamma.-chloro-4-fluorobutyrophenone

    27. .omega.-chloro-p-fluorobutyrophenone

    28. P-fluoro-.gamma.-chlorobutyrophenone

    29. P-fluoro-.omega.-chlorobutyrophenone

    30. Nsc-87082

    31. Unii-fvl03c7jrr

    32. Gamma-chloro-p-fluorobutyrophene

    33. P-fluoro-gamma-chlorobutyrophenone

    34. Gamma-chloro-4-fluorobutyrophenone

    35. Einecs 223-395-3

    36. Dsstox_cid_31518

    37. Dsstox_rid_97403

    38. Nciopen2_005403

    39. Dsstox_gsid_57729

    40. Schembl318467

    41. 4-chlor-4'-fluor-butyrophenon

    42. 4-chloro-4'-flurobutyrophenone

    43. 4-chloro-4'-flourobutyrophenone

    44. Chembl3561872

    45. Hxaouygzeoztjo-uhfffaoysa-

    46. 4-chloro-4' -fluorobutyrophenone

    47. 4-chloro-4'-fluoro-butyrophenone

    48. .gamma.-chloro-p-fluorobutyrophene

    49. Omega-chloro-4-fluorobutyrophenone

    50. P-fluoro-gamma-chloro Butyrophenone

    51. Amy25665

    52. Nsc87082

    53. Zinc1561635

    54. Tox21_113749

    55. .omega.-chloro-4-fluorobutyrophenone

    56. Bbl009718

    57. Stl141083

    58. 1-chloro-3-(4-fluorobenzoyl)propane

    59. Akos000120240

    60. Gamma-(p-fluorobenzoyl)propyl Chloride

    61. 1-chloro-3-(4-fluorobenzoyl)-propane

    62. Cs-w009108

    63. 4-chloro-4'-fluorobutyrophenone, 97%

    64. 4-oxo-4-(4-fluorophenyl)butyl Chloride

    65. Ncgc00253619-01

    66. 4-chloro-4'-fluorobutyrophenone;4-chloro-1-(4-fluorophenyl)butan-1-one;1-butanone, 4-chloro-1-(4-fluorophenyl)-;butyrophenone, 4-chloro-4'-fluoro-;4-chloro-4'-fluorobutyrophenone 4-chloro-1-(4-fluorophenyl)butan-1-one 1-butanone, 4-chloro-1-(4-fluorophenyl)- Butyrophenone, 4-chloro-4'-fluoro-

    67. Ac-10958

    68. Sy016889

    69. 1-utanone, 4-hloro-1-(4-luorophenyl)-

    70. Cas-3874-54-2

    71. 1-chloro-3-(p-fluorophenylcarbonyl)propane

    72. Db-049325

    73. 4-chloro-1-(4-fluoro-phenyl)-butan-1-one

    74. 4-chloro-1-(4-fluorophenyl)-1-butanone #

    75. Ft-0618100

    76. D78020

    77. 1-chloro-4-(4-fluorophenyl)-4-oxobutane

    78. A824266

    79. Sr-01000944706

    80. 3-(4-fluorophenylcarbonyl)-1-chloropropane

    81. Q-200454

    82. Sr-01000944706-1

    83. Q27278227

    84. 4-chloro-4 Inverted Exclamation Mark -fluorobutyrophenone

    85. 4-chloro-1-(4-fluorophenyl)butan-1-one;4-chloro-4'-fluorobutyrophenone

    86. 54839-20-2

    87. N-[n,o-isopropylidene-(2r)-hydroxyindan-(1s)-yl]-(2r)-benzyl-(4s,5)-epoxypentanamide

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 200.64 g/mol
    Molecular Formula C10H10ClFO
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass200.0404208 g/mol
    Monoisotopic Mass200.0404208 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity164
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1