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    Technical details about CAS-34841-35-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-34841-35-5

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    PharmaCompass

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    2D Structure
    1. Also known as: 34841-35-5, 1-(3-chlorophenyl)propan-1-one, M-chloropropiophenone, 3-chlorophenyl ethyl ketone, 1-propanone, 1-(3-chlorophenyl)-, Mfcd00009925
    Molecular Formula
    C9H9ClO
    Molecular Weight
    168.62  g/mol
    InChI Key
    PQWGFUFROKIJBO-UHFFFAOYSA-N
    FDA UNII
    2697RI8Z48
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-chlorophenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
    2.1.3 InChI Key
    PQWGFUFROKIJBO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)C1=CC(=CC=C1)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    2697RI8Z48
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 34841-35-5

    2. 1-(3-chlorophenyl)propan-1-one

    3. M-chloropropiophenone

    4. 3-chlorophenyl Ethyl Ketone

    5. 1-propanone, 1-(3-chlorophenyl)-

    6. Mfcd00009925

    7. 2697ri8z48

    8. Unii-2697ri8z48

    9. Einecs 252-242-3

    10. 1-(3-chloro-phenyl)-propan-1-one

    11. M-chloro-propiophenone

    12. 3'-chloro-propiophenone

    13. Ec 252-242-3

    14. Dsstox_cid_29133

    15. Dsstox_rid_83352

    16. Dsstox_gsid_49277

    17. Schembl116338

    18. 3'-chloropropiophenone, 98%

    19. Chembl2251583

    20. Dtxsid1049277

    21. Pqwgfufrokijbo-uhfffaoysa-

    22. 1-(3-chlorophenyl)-1-propanone

    23. Zinc407109

    24. Propiophenone, 3'-chloro-

    25. Amy37151

    26. Chloropropiophenone [usp-rs]

    27. Tox21_202823

    28. 1-(3-chlorophenyl)-1-propanone #

    29. Bbl011448

    30. Stl146560

    31. Akos000119340

    32. Cs-w016034

    33. Ps-6116

    34. Ncgc00260369-01

    35. Ac-10818

    36. Chloropropiophenone [usp Impurity]

    37. Sy018227

    38. Cas-34841-35-5

    39. A6116

    40. Ft-0615522

    41. D70670

    42. 3 Inverted Exclamation Mark -chloropropiophenone

    43. A822431

    44. W-106706

    45. Q27254073

    46. F0001-1011

    47. Z1250100718

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 168.62 g/mol
    Molecular Formula C9H9ClO
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass168.0341926 g/mol
    Monoisotopic Mass168.0341926 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity145
    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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