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    CAS 98446-49-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 98446-49-2, 5-amino-2,4-dichloroanisole, Benzenamine, 2,4-dichloro-5-methoxy-, Mfcd00974410, 2,4-dichloro-5-methoxybenzenamine, 4,6-dichloro-m-anisidine
    Molecular Formula
    C7H7Cl2NO
    Molecular Weight
    192.04  g/mol
    InChI Key
    AJROJTARXSATEB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dichloro-5-methoxyaniline
    2.1.2 InChI
    InChI=1S/C7H7Cl2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
    2.1.3 InChI Key
    AJROJTARXSATEB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C(=C1)N)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 98446-49-2

    2. 5-amino-2,4-dichloroanisole

    3. Benzenamine, 2,4-dichloro-5-methoxy-

    4. Mfcd00974410

    5. 2,4-dichloro-5-methoxybenzenamine

    6. 4,6-dichloro-m-anisidine

    7. Mls000707240

    8. Schembl108063

    9. Chembl1385409

    10. 2,4-di-chloro-5-methoxyaniline

    11. Amy8893

    12. Dtxsid80363100

    13. Hms2648d09

    14. Act08738

    15. Bcp07142

    16. Zinc1388874

    17. Cl9088

    18. Akos005070483

    19. 4l-348s

    20. Ac-4783

    21. Cs-w015831

    22. Pb44002

    23. Smr000334622

    24. Sy032192

    25. Db-024742

    26. C2963

    27. Ft-0642369

    28. 446d492

    29. J-507133

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 192.04 g/mol
    Molecular Formula C7H7Cl2NO
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass190.9904692 g/mol
    Monoisotopic Mass190.9904692 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1