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    Technical details about CAS 1141-23-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1141-23-7

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    2D Structure
    1. Also known as: 1141-23-7, 5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid, Mfcd00190251, 3-(4-chloro phenyl) glutaric acid monoamide, (3rs)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid, 3-(4-chlorophenyl)glutaric acid monoamide
    Molecular Formula
    C11H12ClNO3
    Molecular Weight
    241.67  g/mol
    InChI Key
    NLCJVRPOYTZTMS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)
    2.1.3 InChI Key
    NLCJVRPOYTZTMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(CC(=O)N)CC(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1141-23-7

    2. 5-amino-3-(4-chlorophenyl)-5-oxopentanoic Acid

    3. Mfcd00190251

    4. 3-(4-chloro Phenyl) Glutaric Acid Monoamide

    5. (3rs)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic Acid

    6. 3-(4-chlorophenyl)glutaric Acid Monoamide

    7. Baclofen Impurity B

    8. B -(4-chlorophenyl) Glutaric Acid Monoamide

    9. 5-amino-3-(4-chlorophenyl)-5-oxopentanoicacid

    10. Ec 700-336-4

    11. Oprea1_563222

    12. 5-amino-3-(4-chlorophenyl)-5-oxo-pentanoic Acid

    13. Schembl7822991

    14. Amy3789

    15. Dtxsid60405557

    16. Akos003237766

    17. Ac-19668

    18. Ds-10717

    19. Sy001982

    20. Db-041199

    21. Cs-0151385

    22. Ft-0613655

    23. 141c237

    24. A803137

    25. (3r,s)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic Acid

    26. Benzenepropanoic Acid, Beta-(2-amino-2-oxoethyl)-4-chloro-

    2.3 Create Date
    2005-09-16
    3 Chemical and Physical Properties
    Molecular Weight 241.67 g/mol
    Molecular Formula C11H12ClNO3
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass241.0505709 g/mol
    Monoisotopic Mass241.0505709 g/mol
    Topological Polar Surface Area80.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity262
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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