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    Technical details about CAS 141109-14-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 141109-14-0

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    2D Structure
    1. Also known as: 141109-14-0, (s)-methyl 2-amino-2-(2-chlorophenyl)acetate, L-2-chlorophenylglycine methyl ester, Methyl (2s)-2-amino-2-(2-chlorophenyl)acetate, (s)-2-chlorophenylglycine methyl ester, Methyl (2s)-amino(2-chlorophenyl)acetate
    Molecular Formula
    C9H10ClNO2
    Molecular Weight
    199.63  g/mol
    InChI Key
    UTWOZNRDJNWTPS-QMMMGPOBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-amino-2-(2-chlorophenyl)acetate
    2.1.2 InChI
    InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/m0/s1
    2.1.3 InChI Key
    UTWOZNRDJNWTPS-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CC=C1Cl)N
    2.1.5 Isomeric SMILES
    COC(=O)[C@H](C1=CC=CC=C1Cl)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 141109-14-0

    2. (s)-methyl 2-amino-2-(2-chlorophenyl)acetate

    3. L-2-chlorophenylglycine Methyl Ester

    4. Methyl (2s)-2-amino-2-(2-chlorophenyl)acetate

    5. (s)-2-chlorophenylglycine Methyl Ester

    6. Methyl (2s)-amino(2-chlorophenyl)acetate

    7. Schembl5101666

    8. Dtxsid10471702

    9. Ac-255

    10. Mfcd02258899

    11. Zinc21983015

    12. Akos016842506

    13. Am84375

    14. Cs-0107172

    15. L-(+)-(2-chlorophenyl)glycine Methyl Ester

    16. (s)-methyl2-amino-2-(2-chlorophenyl)acetate

    17. D97832

    18. Methyl (s)-2-amino-2-(2-chlorophenyl)acetate

    19. (s)-amino(2-chlorophenyl)acetic Acid Methyl Ester

    20. 109c140

    21. Q-101328

    22. (+)2-(2-chlorophenyl)glycine Methyl Ester (tartrate Salt)

    23. Methyl (+)-(s)-alpha-amino-alpha-(2-chlorophenyl)acetate

    24. Benzeneacetic Acid, Alpha-amino-2-chloro-, Methyl Ester, (alphas)-

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 199.63 g/mol
    Molecular Formula C9H10ClNO2
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass199.0400063 g/mol
    Monoisotopic Mass199.0400063 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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