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    2019-34-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2019-34-3, 3-(4-chlorophenyl)propionic acid, Benzenepropanoic acid, 4-chloro-, 4-chlorophenylpropionic acid, 4-chlorobenzenepropanoic acid, Mfcd00016555
    Molecular Formula
    C9H9ClO2
    Molecular Weight
    184.62  g/mol
    InChI Key
    BBSLOKZINKEUCR-UHFFFAOYSA-N
    FDA UNII
    EU6X3MW040
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-chlorophenyl)propanoic acid
    2.1.2 InChI
    InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
    2.1.3 InChI Key
    BBSLOKZINKEUCR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC(=O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    EU6X3MW040
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2019-34-3

    2. 3-(4-chlorophenyl)propionic Acid

    3. Benzenepropanoic Acid, 4-chloro-

    4. 4-chlorophenylpropionic Acid

    5. 4-chlorobenzenepropanoic Acid

    6. Mfcd00016555

    7. P-chlorohydrocinnamic Acid

    8. C9h9clo2

    9. 3-(4-chlorophenyl)-propionic Acid

    10. Eu6x3mw040

    11. Chembl3819037

    12. 3-(4-chloro-phenyl)-propionic Acid

    13. P-chlorhydrozimtsaure

    14. Unii-eu6x3mw040

    15. Schembl349314

    16. P-chloro Benzenepropanoic Acid

    17. 3-(4-chlorophenyl)propanoicacid

    18. 3-(p-chlorophenyl)propionic Acid

    19. Amy3667

    20. Dtxsid90174022

    21. 3-(4-chlorophenyl)propanoic Acid #

    22. Bdbm50180854

    23. Stk397363

    24. 4-chloro-benzenepropanoic Acid

    25. Akos000112333

    26. Ab01196

    27. Cs-w007646

    28. 3-(4-chlorophenyl)propionic Acid, 97%

    29. 3-(p-chlorophenyl)propanoic Acid

    30. Pitolisant Metabolite Bp1.3473

    31. As-12445

    32. Bp1.3473

    33. Pd174451

    34. Sy003370

    35. Beta-(p-chlorophenyl)propionic Acid

    36. C2177

    37. Ft-0633981

    38. .beta.-(p-chlorophenyl)propionic Acid

    39. En300-24304

    40. A814319

    41. Ae-641/00345037

    42. J-510685

    43. Q27465198

    44. Z178961272

    45. Isopentyl (isopentyloxycarbonyldisulfanyl)formate;3-(4-chlorophenyl)-propionic Acid

    46. S0w

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 184.62 g/mol
    Molecular Formula C9H9ClO2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area37.3
    Heavy Atom Count12
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1