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    CAS 53209-19-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 53209-19-1, 4-nitrobenzene-1,2-diamine hydrochloride, 4-nitro-1,2-phenylenediamine monohydrochloride, 4-nitro-o-phenylenediamine monohydrochloride, 4-nitro-1,2-phenylenediamine monohcl, 4-nitrobenzene-1,2-diamine;hydrochloride
    Molecular Formula
    C6H8ClN3O2
    Molecular Weight
    189.60  g/mol
    InChI Key
    IFTLGFVLGVXRBT-UHFFFAOYSA-N
    FDA UNII
    R6FRD37482
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-nitrobenzene-1,2-diamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H7N3O2.ClH/c7-5-2-1-4(9(10)11)3-6(5)8;/h1-3H,7-8H2;1H
    2.1.3 InChI Key
    IFTLGFVLGVXRBT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])N)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    R6FRD37482
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 53209-19-1

    2. 4-nitrobenzene-1,2-diamine Hydrochloride

    3. 4-nitro-1,2-phenylenediamine Monohydrochloride

    4. 4-nitro-o-phenylenediamine Monohydrochloride

    5. 4-nitro-1,2-phenylenediamine Monohcl

    6. 4-nitrobenzene-1,2-diamine;hydrochloride

    7. R6frd37482

    8. 4-nitro-o-phenylenediamine Hcl

    9. 4-nitrobenzene-1,2-diamine Monohydrochloride

    10. Ccris 9089

    11. Einecs 258-429-6

    12. Unii-r6frd37482

    13. Schembl970606

    14. Dtxsid70201289

    15. Mfcd00043273

    16. Akos016846129

    17. 4-nitrobenzene-1,2-diaminehydrochloride

    18. As-64534

    19. Db-052272

    20. Cs-0205232

    21. Ft-0619181

    22. 1,2-diamino-4-nitrobenzene Monohydrochloride

    23. 4-nitro-o-phenylenediamine Hcl [inci]

    24. D88565

    25. A829445

    26. O-phenylenediamine, 4-nitro-, Hydrochloride

    27. 4-nitro-1,2-benzenediamine Hydrochloride, Aldrichcpr

    28. Q27287851

    29. 1,2-benzenediamine, 4-nitro-, Monohydrochloride

    30. 1,2-benzenediamine, 4-nitro-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 189.60 g/mol
    Molecular Formula C6H8ClN3O2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass189.0305042 g/mol
    Monoisotopic Mass189.0305042 g/mol
    Topological Polar Surface Area97.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity156
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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