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    Chemistry

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    Also known as: 2653-16-9, Acetamide, 2-chloro-n-methyl-n-(4-nitrophenyl)-, 2-chloro-n-methyl-n-(4-nitro-phenyl)-acetamide, Ec 607-952-1, Schembl1232308, Schembl13808955
    Molecular Formula
    C9H9ClN2O3
    Molecular Weight
    228.63  g/mol
    InChI Key
    JAWLWNKATJAODJ-UHFFFAOYSA-N
    CAS 2653-16-9
    1 2D Structure

    CAS 2653-16-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-N-methyl-N-(4-nitrophenyl)acetamide
    2.1.2 InChI
    InChI=1S/C9H9ClN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
    2.1.3 InChI Key
    JAWLWNKATJAODJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2653-16-9

    2. Acetamide, 2-chloro-n-methyl-n-(4-nitrophenyl)-

    3. 2-chloro-n-methyl-n-(4-nitro-phenyl)-acetamide

    4. Ec 607-952-1

    5. Schembl1232308

    6. Schembl13808955

    7. Dtxsid30465820

    8. Amy40267

    9. Caa65316

    10. Mfcd01026196

    11. Zinc12505024

    12. Akos009096449

    13. As-67392

    14. N-methyl-p-nitro-alpha-chloroacetoanilide

    15. Sy170115

    16. Cs-0011634

    17. Ft-0699903

    18. En300-24617

    19. 2-chloro-n-methyl-n-(4-nitrophenyl) Acetamide

    20. A856574

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 228.63 g/mol
    Molecular Formula C9H9ClN2O3
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass228.0301698 g/mol
    Monoisotopic Mass228.0301698 g/mol
    Topological Polar Surface Area66.1 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity246
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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