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    CAS 603-85-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 603-85-0, Phenol, 2-amino-3-nitro-, 2-hydroxy-6-nitroaniline, 3-nitro-2-aminophenol, Mfcd00010875, 2-amino-3-hydroxynitrobenzene
    Molecular Formula
    C6H6N2O3
    Molecular Weight
    154.12  g/mol
    InChI Key
    KUCWUAFNGCMZDB-UHFFFAOYSA-N
    FDA UNII
    A7F97ZPU2W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-3-nitrophenol
    2.1.2 InChI
    InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
    2.1.3 InChI Key
    KUCWUAFNGCMZDB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)O)N)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    A7F97ZPU2W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 603-85-0

    2. Phenol, 2-amino-3-nitro-

    3. 2-hydroxy-6-nitroaniline

    4. 3-nitro-2-aminophenol

    5. Mfcd00010875

    6. 2-amino-3-hydroxynitrobenzene

    7. 2-azanyl-3-nitro-phenol

    8. A7f97zpu2w

    9. Ccris 2544

    10. 2-amino-3-nitro-phenol

    11. Einecs 210-060-1

    12. Unii-a7f97zpu2w

    13. 1-hydroxy-2-amino-3-nitrobenzene

    14. 2-amino-nitrophenol

    15. Amino-3-nitrophenol

    16. Imexine Fo

    17. 2-amino-3-nitrophenoi

    18. Tetramethylammoniumnitrate

    19. Schembl94283

    20. 2-amino-3-nitrophenol, 98%

    21. Kucwuafngcmzdb-uhfffaoysa-

    22. Dtxsid70209063

    23. Nitro-2-aminophenol, 3-

    24. Act00508

    25. Zinc4272219

    26. Geo-00189

    27. Akos005137906

    28. Akos025395581

    29. 2-amino-3-nitrophenol [inci]

    30. Ac-2563

    31. Cs-w008642

    32. Ps-3734

    33. Sb76595

    34. Sy002063

    35. Db-027729

    36. Am20080638

    37. Ft-0632506

    38. En300-39941

    39. 603a850

    40. Q-200230

    41. Q27273725

    42. Z1245635848

    43. Jbk

    2.4 Create Date
    2005-08-08
    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