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    CAS 53242-76-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 53242-76-5, 2-(2-(4-chlorophenyl)acetyl)benzoic acid, 2-[2-(4-chlorophenyl)acetyl]benzoic acid, 2-[(4-chlorophenyl)acetyl]benzoic acid, Benzoic acid, 2-[(4-chlorophenyl)acetyl]-, 2-(4-chlorophenylaceto)benzoic acid
    Molecular Formula
    C15H11ClO3
    Molecular Weight
    274.70  g/mol
    InChI Key
    BDSINYHJZLINDJ-UHFFFAOYSA-N
    FDA UNII
    32I72UN2JY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(4-chlorophenyl)acetyl]benzoic acid
    2.1.2 InChI
    InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)
    2.1.3 InChI Key
    BDSINYHJZLINDJ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    32I72UN2JY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 53242-76-5

    2. 2-(2-(4-chlorophenyl)acetyl)benzoic Acid

    3. 2-[2-(4-chlorophenyl)acetyl]benzoic Acid

    4. 2-[(4-chlorophenyl)acetyl]benzoic Acid

    5. Benzoic Acid, 2-[(4-chlorophenyl)acetyl]-

    6. 2-(4-chlorophenylaceto)benzoic Acid

    7. Mfcd07369702

    8. 32i72un2jy

    9. Benzoic Acid, 2-((4-chlorophenyl)acetyl)-

    10. 2-(4-chlorophenyl-acetyl)benzoic Acid

    11. C15h11clo3

    12. Unii-32i72un2jy

    13. Azelastine Hydrochloride Imp. C (ep); Azelastine Imp. C (ep); 2-[(4-chlorophenyl)acetyl]benzoic Acid; Azelastine Hydrochloride Impurity C; Azelastine Impurity C

    14. Einecs 258-444-8

    15. P-chlorobenzylacetophenoe-o-carboxylic Acid

    16. 2-[2-(4-chlorophenyl)acetyl]-benzoic Acid

    17. Chlorophenylacetylbenzoic Acid

    18. Schembl7663868

    19. Dtxsid90201342

    20. Bdsinyhjzlindj-uhfffaoysa-n

    21. Bcp24978

    22. Ac7948

    23. Akos015918467

    24. Ab32172

    25. 2-(2-(4-chlorophenyl)acetyl)benzoicacid

    26. As-11900

    27. Sy107520

    28. Db-071651

    29. 2-(p-chlorophenylacetyl)benzoic Acid

    30. Cs-0156712

    31. Ns00032686

    32. Chlorophenylacetylbenzoic Acid [usp Impurity]

    33. W-109041

    34. Benzoic Acid, 2-(2-(4-chlorophenyl)acetyl)-

    35. Q27256173

    36. Azelastine Hydrochloride Impurity C [ep Impurity]

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 274.70 g/mol
    Molecular Formula C15H11ClO3
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area54.4
    Heavy Atom Count19
    Formal Charge0
    Complexity334
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1