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    CAS 34911-51-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 34911-51-8, 2-bromo-1-(3-chlorophenyl)propan-1-one, 2-bromo-1-(3-chlorophenyl)-1-propanone, 3'-chloro-2-bromopropiophenone, 1-propanone, 2-bromo-1-(3-chlorophenyl)-, 3op1ci6qqx
    Molecular Formula
    C9H8BrClO
    Molecular Weight
    247.51  g/mol
    InChI Key
    OFNMQTRHMBQQEA-UHFFFAOYSA-N
    FDA UNII
    3OP1CI6QQX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-(3-chlorophenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
    2.1.3 InChI Key
    OFNMQTRHMBQQEA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1=CC(=CC=C1)Cl)Br
    2.2 Other Identifiers
    2.2.1 UNII
    3OP1CI6QQX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 34911-51-8

    2. 2-bromo-1-(3-chlorophenyl)propan-1-one

    3. 2-bromo-1-(3-chlorophenyl)-1-propanone

    4. 3'-chloro-2-bromopropiophenone

    5. 1-propanone, 2-bromo-1-(3-chlorophenyl)-

    6. 3op1ci6qqx

    7. 1-propanone,2-bromo-1-(3-chlorophenyl)-

    8. Mfcd03701150

    9. 2-bromo-1-(3-chloro-phenyl)-propan-1-one

    10. Einecs 252-282-1

    11. Unii-3op1ci6qqx

    12. Bromo-3'-chloropropiophenone

    13. Schembl633225

    14. Bromochloropropio Phenone

    15. 3'-chloro-?-bromopropiophenone

    16. M-chloro-alpha-bromopropiophenone

    17. 3'-chloro-2-bromo-propiophenone

    18. Dtxsid10956382

    19. 3'-chloro-alpha-bromopropiophenone

    20. Alpha-bromo-3'chloro Propiophenone

    21. Ac1538

    22. 2-bromo-3-chloropropiophenone

    23. Akos000210949

    24. Akos017269060

    25. Ab15749

    26. As-0006

    27. Cs-w004079

    28. Alpha-bromo-3-chloropropiophenone

    29. Sy104235

    30. .alpha.-bromo-m-chloropropiophenone

    31. .alpha.-bromo-3-chloropropiophenone

    32. Db-020575

    33. Am20040250

    34. Ft-0639220

    35. Bupropion Related Compound G [usp-rs]

    36. En300-07111

    37. A24700

    38. Bromochloropropio Phenone [usp Impurity]

    39. 911b518

    40. J-019802

    41. J-508146

    42. 2-bromo-1-(3-chlorophenyl)-1-propanone, Aldrichcpr

    43. 2-bromo-3 Inverted Exclamation Mark -chloropropiophenone

    44. 2-bromo-1-(3-chlorophenyl)propan-1-one (2-bromo-3'-chloropropiophenone)

    2.4 Create Date
    2005-09-17
    3 Chemical and Physical Properties
    Molecular Weight 247.51 g/mol
    Molecular Formula C9H8BrClO
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass245.94471 g/mol
    Monoisotopic Mass245.94471 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity172
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1