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    CAS 97-51-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5-nitrosalicylaldehyde, 97-51-8, Benzaldehyde, 2-hydroxy-5-nitro-, Salicylaldehyde, 5-nitro-, Mfcd00007337, 2-hydroxy-5-nitro-benzaldehyde
    Molecular Formula
    C7H5NO4
    Molecular Weight
    167.12  g/mol
    InChI Key
    IHFRMUGEILMHNU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-5-nitrobenzaldehyde
    2.1.2 InChI
    InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
    2.1.3 InChI Key
    IHFRMUGEILMHNU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])C=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 5-nitrosalicylaldehyde

    2. 5-nitrosalicylaldehyde Potassium

    2.2.2 Depositor-Supplied Synonyms

    1. 5-nitrosalicylaldehyde

    2. 97-51-8

    3. Benzaldehyde, 2-hydroxy-5-nitro-

    4. Salicylaldehyde, 5-nitro-

    5. Mfcd00007337

    6. 2-hydroxy-5-nitro-benzaldehyde

    7. Nsc 881

    8. Einecs 202-587-0

    9. 5-nitro Salicylaldehdye

    10. Ai3-52608

    11. 5-nitro Salicylaldehyde

    12. Unii-zj6ggt3k66

    13. Zj6ggt3k66

    14. Oprea1_813586

    15. Schembl79298

    16. 2-hydroxy 5-nitrobenzaldehyde

    17. 5-nitro-2-hydroxybenzaldehyde

    18. 5-nitro-2-hydroxy-benzaldehyde

    19. Nsc881

    20. Chembl3660344

    21. Dtxsid6059154

    22. Nsc-881

    23. Bdbm111008

    24. Amy31519

    25. Cs-m1907

    26. Bbl000323

    27. Geo-01539

    28. Stk346021

    29. Zinc49538688

    30. 2-hydroxy-5-nitrobenzaldehyde, 98%

    31. Akos000108208

    32. Ac-3345

    33. Ps-6254

    34. Sy004427

    35. Db-004004

    36. Bb 0245783

    37. Ft-0620721

    38. N0255

    39. En300-18390

    40. 97n518

    41. F11283

    42. Ah-034/32841024

    43. 2-hydroxy-5-nitrobenzaldehyde;5-nitrosalicylaldehyde

    44. Q-200288

    45. Us8614253, .3-39

    46. F2191-0160

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 167.12 g/mol
    Molecular Formula C7H5NO4
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass167.02185764 g/mol
    Monoisotopic Mass167.02185764 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity188
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1