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    Also known as: 2142-68-9, 1-(2-chlorophenyl)ethanone, O-chloroacetophenone, 1-(2-chlorophenyl)ethan-1-one, Ethanone, 1-(2-chlorophenyl)-, Acetophenone, 2'-chloro-
    Molecular Formula
    C8H7ClO
    Molecular Weight
    154.59  g/mol
    InChI Key
    ZDOYHCIRUPHUHN-UHFFFAOYSA-N
    2
    1 2D Structure

    2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-chlorophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
    2.1.3 InChI Key
    ZDOYHCIRUPHUHN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=CC=C1Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2142-68-9

    2. 1-(2-chlorophenyl)ethanone

    3. O-chloroacetophenone

    4. 1-(2-chlorophenyl)ethan-1-one

    5. Ethanone, 1-(2-chlorophenyl)-

    6. Acetophenone, 2'-chloro-

    7. 1-(2-chloro-phenyl)-ethanone

    8. O-chloroacetophonone

    9. Ethanone, 1-(chlorophenyl)-

    10. Ai3-15920

    11. Nsc 405474

    12. 1-[2-chlorophenyl]ethanone

    13. Einecs 218-397-6

    14. Mfcd00000560

    15. O-chlorobenzoyl Group

    16. 2`-chloroacetophenone

    17. Brn 1858916

    18. Ortho-chloroacetophenone

    19. 2'-chloro Acetophenone

    20. 2-chlorophenyl Ethanone

    21. Ortho-chlorobenzoyl Group

    22. 2-chloro-1-acetylbenzene

    23. Epitope Id:140118

    24. O-chlorophenyl Methyl Ketone

    25. 2-chlorophenyl Methyl Ketone

    26. Methyl 2-chlorophenyl Ketone

    27. Schembl55443

    28. 2'-chloroacetophenone, 97%

    29. Chembl4633448

    30. Dtxsid1062201

    31. Chebi:60718

    32. Zdoyhciruphuhn-uhfffaoysa-

    33. Zinc1598575

    34. Nsc405474

    35. Stl299676

    36. Akos000118936

    37. Ac-7849

    38. Am84749

    39. Cs-w010929

    40. Nsc-405474

    41. Ps-5480

    42. Db-014086

    43. Ft-0611899

    44. P20606

    45. 4-07-00-00638 (beilstein Handbook Reference)

    46. A815336

    47. W-107556

    48. F0001-0766

    49. Z1250132546

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 154.59 g/mol
    Molecular Formula C8H7ClO
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass154.0185425 g/mol
    Monoisotopic Mass154.0185425 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity133
    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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