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    CAS 35271-74-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 35271-74-0, 3-(4-chlorophenyl)glutaric acid, Pentanedioic acid, 3-(4-chlorophenyl)-, 3-(4-chlorophenyl) glutarate, 3-(4-chlorophenyl)-pentanedioic acid, Mfcd00190249
    Molecular Formula
    C11H11ClO4
    Molecular Weight
    242.65  g/mol
    InChI Key
    URXVLIVRJJNJII-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-chlorophenyl)pentanedioic acid
    2.1.2 InChI
    InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
    2.1.3 InChI Key
    URXVLIVRJJNJII-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35271-74-0

    2. 3-(4-chlorophenyl)glutaric Acid

    3. Pentanedioic Acid, 3-(4-chlorophenyl)-

    4. 3-(4-chlorophenyl) Glutarate

    5. 3-(4-chlorophenyl)-pentanedioic Acid

    6. Mfcd00190249

    7. B-(4-chlorophenyl) Glutaric Acid

    8. Einecs 252-477-1

    9. Baclofen Impurity 1

    10. Maybridge1_006241

    11. Oprea1_702129

    12. Schembl391659

    13. Cs-waa0108

    14. 3-(p-chlorophenyl)glutaric Acid

    15. Hms559d15

    16. Dtxsid80188759

    17. 3-(4-chlorophenyl) Glutaric Acid

    18. Albb-010225

    19. Zinc4253570

    20. Ccg-45938

    21. Stk664062

    22. Akos003368105

    23. Cs-w010273

    24. 3-(4-chlorophenyl)glutaric Acid-[d4]

    25. Ac-19667

    26. Ds-14367

    27. Sy001983

    28. Db-021647

    29. Am20060450

    30. Ft-0613656

    31. En300-93915

    32. 271c740

    33. A822705

    34. Sr-01000635675-1

    35. W-106683

    36. Z1270207954

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 242.65 g/mol
    Molecular Formula C11H11ClO4
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass242.0345865 g/mol
    Monoisotopic Mass242.0345865 g/mol
    Topological Polar Surface Area74.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity243
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1