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    Technical details about CAS 5465-65-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5465-65-6

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    2D Structure
    1. Also known as: 5465-65-6, 1-(4-chloro-3-nitrophenyl)ethanone, 4-chloro-3-nitroacetophenone, Ethanone, 1-(4-chloro-3-nitrophenyl)-, 1-(4-chloro-3-nitrophenyl)ethan-1-one, Acetophenone, 4'-chloro-3'-nitro-
    Molecular Formula
    C8H6ClNO3
    Molecular Weight
    199.59  g/mol
    InChI Key
    YEVPHFIFGUWSMG-UHFFFAOYSA-N
    FDA UNII
    GKV85F2ZXL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-chloro-3-nitrophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
    2.1.3 InChI Key
    YEVPHFIFGUWSMG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    GKV85F2ZXL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5465-65-6

    2. 1-(4-chloro-3-nitrophenyl)ethanone

    3. 4-chloro-3-nitroacetophenone

    4. Ethanone, 1-(4-chloro-3-nitrophenyl)-

    5. 1-(4-chloro-3-nitrophenyl)ethan-1-one

    6. Acetophenone, 4'-chloro-3'-nitro-

    7. Mfcd00007083

    8. Gkv85f2zxl

    9. 2-chloro-5-acetylnitrobenzene

    10. Nsc-25820

    11. 4//'-chloro-3//'-nitroacetophenone

    12. 1-{4-chloro-3-nitrophenyl}ethanone

    13. Einecs 226-769-4

    14. Unii-gkv85f2zxl

    15. 4-chloro-3'-nitroacetophenone

    16. 3'-nitro-4'-chloro Acetophenone

    17. 1-acetyl-4-chloro-3-nitrobenzene

    18. Nsc25820

    19. 4-chloro-3-nitro Acetophenone

    20. 3-nitro-4-chloroacetophenone

    21. 4-chloro-3-nitriacetophenone

    22. Schembl239454

    23. Dtxsid0022228

    24. Yevphfifguwsmg-uhfffaoysa-

    25. Zinc155344

    26. 4\'-chloro-3\'-nitroacetophenone

    27. Act08115

    28. Str00550

    29. Nsc 25820

    30. Stk359212

    31. Akos000119814

    32. Ac-3636

    33. Am62027

    34. Cs-w010500

    35. 1-(4-chloro-3-nitrophenyl)ethanone #

    36. 3'-nitro-4'-chloroacetophenone

    37. 4'-chloro-3'-nitroacetophenone, 99%

    38. 1-(4-chloro-3-nitrophenyl)-1-ethanone

    39. 4-acetyl-1-chloro-2-nitrobenzene

    40. Sy018284

    41. Db-052625

    42. A7932

    43. Ft-0618077

    44. I12068

    45. Ah-034/32829032

    46. Q27279151

    47. 4 Inverted Exclamation Mark -chloro-3 Inverted Exclamation Mark -nitroacetophenone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 199.59 g/mol
    Molecular Formula C8H6ClNO3
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass199.0036207 g/mol
    Monoisotopic Mass199.0036207 g/mol
    Topological Polar Surface Area62.9 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity226
    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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