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    CAS 68817-71-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 68817-71-0, N1-(4-chlorophenyl)benzene-1,2-diamine, N-(4-chlorophenyl)benzene-1,2-diamine, 2-n-(4-chlorophenyl)benzene-1,2-diamine, 1,2-benzenediamine, n-(4-chlorophenyl)-, (2-aminophenyl)(4-chlorophenyl)amine
    Molecular Formula
    C12H11ClN2
    Molecular Weight
    218.68  g/mol
    InChI Key
    WEUBIWJPIRTWDF-UHFFFAOYSA-N
    FDA UNII
    P7C6565WVL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-N-(4-chlorophenyl)benzene-1,2-diamine
    2.1.2 InChI
    InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
    2.1.3 InChI Key
    WEUBIWJPIRTWDF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    P7C6565WVL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 68817-71-0

    2. N1-(4-chlorophenyl)benzene-1,2-diamine

    3. N-(4-chlorophenyl)benzene-1,2-diamine

    4. 2-n-(4-chlorophenyl)benzene-1,2-diamine

    5. 1,2-benzenediamine, N-(4-chlorophenyl)-

    6. (2-aminophenyl)(4-chlorophenyl)amine

    7. P7c6565wvl

    8. Mfcd00007686

    9. N2-(4-chlorophenyl)benzene-1,2-diamine

    10. Einecs 272-391-8

    11. 2-(4-chloroanilino)aniline

    12. 1,2-benzenediamine, N1-(4-chlorophenyl)-

    13. Unii-p7c6565wvl

    14. 2-(4-chloroanilino)-aniline

    15. Schembl255243

    16. 2-amino-4'-chlorodiphenylamine

    17. Chembl3637787

    18. Dtxsid30218919

    19. Zinc389512

    20. Akos009281601

    21. Ds-4691

    22. Sb79424

    23. N-(4-chlorophenyl)-1,2-benzenediamine

    24. N-(4-chlorophenyl) Benzene-1,2-diamine

    25. N-(4-chlorophenyl)-benzene-1,2-diamine

    26. Sy251740

    27. Db-055194

    28. C3171

    29. Cs-0156627

    30. Ft-0641209

    31. D70326

    32. N-(4-chlorophenyl)-1,2-phenylenediamine, 97%

    33. N1-(4-chlorophenyl)-1,2-benzenediamine

    34. A836256

    35. 3-chloro-4-trifluoromethyl-biphenyl-2-carboxylicacid

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 218.68 g/mol
    Molecular Formula C12H11ClN2
    XLogP33.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass218.0610761 g/mol
    Monoisotopic Mass218.0610761 g/mol
    Topological Polar Surface Area38 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1