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    CAS 603-87-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 603-87-2, 2-nitro-6-aminophenol, 83a52nu8ta, Mfcd02751769, Nsc-87541, Ccris 2545
    Molecular Formula
    C6H6N2O3
    Molecular Weight
    154.12  g/mol
    InChI Key
    AACMNEWXGKOJJK-UHFFFAOYSA-N
    FDA UNII
    83A52NU8TA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-6-nitrophenol
    2.1.2 InChI
    InChI=1S/C6H6N2O3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H,7H2
    2.1.3 InChI Key
    AACMNEWXGKOJJK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)[N+](=O)[O-])O)N
    2.2 Other Identifiers
    2.2.1 UNII
    83A52NU8TA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 603-87-2

    2. 2-nitro-6-aminophenol

    3. 83a52nu8ta

    4. Mfcd02751769

    5. Nsc-87541

    6. Ccris 2545

    7. Nsc87541

    8. 2-amino-6-nitro Phenol

    9. 2-hydroxy-3-nitro-aniline

    10. Phenol, 2-amino-6-nitro-

    11. Unii-83a52nu8ta

    12. Schembl1029956

    13. 2-amino-6-nitro-phenol

    14. Dtxsid30209064

    15. Nitro-6-aminophenol, 2-

    16. Nsc 87541

    17. Zinc35974094

    18. Akos006279428

    19. Ab12699

    20. Cs-w006667

    21. Ac-24381

    22. As-33265

    23. Ft-0660848

    24. A846225

    25. J-508012

    26. Phenol, 2-amino-6-nitro-; 2-amino-6-nitrophenol;

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 154.12 g/mol
    Molecular Formula C6H6N2O3
    XLogP31.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass154.03784206 g/mol
    Monoisotopic Mass154.03784206 g/mol
    Topological Polar Surface Area92.1 Ų
    Heavy Atom Count11
    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 Count1