loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 116313-85-0, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 116313-85-0

    Manufacturers/Suppliers

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 116313-85-0, 3,4-dihydroxy-5-nitrobenzaldehdye, 3-nitro-4,5-dihydroxybenzaldehyde, Benzaldehyde, 3,4-dihydroxy-5-nitro-, 3,4-dihydroxy-5-nitro benzaldehyde, 3,4-dihydroxy-5-nitro-benzaldehyde
    Molecular Formula
    C7H5NO5
    Molecular Weight
    183.12  g/mol
    InChI Key
    BBFJODMCHICIAA-UHFFFAOYSA-N
    FDA UNII
    34J6743XV2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4-dihydroxy-5-nitrobenzaldehyde
    2.1.2 InChI
    InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
    2.1.3 InChI Key
    BBFJODMCHICIAA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    34J6743XV2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dhnb Compound

    2.3.2 Depositor-Supplied Synonyms

    1. 116313-85-0

    2. 3,4-dihydroxy-5-nitrobenzaldehdye

    3. 3-nitro-4,5-dihydroxybenzaldehyde

    4. Benzaldehyde, 3,4-dihydroxy-5-nitro-

    5. 3,4-dihydroxy-5-nitro Benzaldehyde

    6. 3,4-dihydroxy-5-nitro-benzaldehyde

    7. Entacapone Ep Impurity C

    8. Chembl1244

    9. Mfcd00871897

    10. 34j6743xv2

    11. 3,4-dihydroxy-5-nitrobenzaldehyde (rat)

    12. Brn 3283877

    13. Unii-34j6743xv2

    14. Ec 441-810-8

    15. 0-08-00-00261 (beilstein Handbook Reference)

    16. Schembl346035

    17. Zinc2779

    18. 3,4-dihydroxy5-nitrobenzaldehyde

    19. Dtxsid60151345

    20. 3,4-dihydroxy 5-nitrobenzaldehyde

    21. 3,4-dihydroxy-5-nitrobenzaidehyde

    22. 3.4-dihydroxy-5-nitrobenzaldehyde

    23. Bcp29689

    24. 3,4-dihydroxy -5-nitrobenzaldehyde

    25. 3,4-dihydroxy-5-nitrobenz-aldehyde

    26. 3-nitro-4,5-dihydroxy Benzaldehyde

    27. Ac-351

    28. Ac1717

    29. Bdbm50004043

    30. Stl433372

    31. Akos006343240

    32. Cs-w021800

    33. As-12950

    34. Sy032511

    35. Db-012800

    36. Entacapone Impurity C [ep Impurity]

    37. A2389

    38. Am20020247

    39. D3645

    40. Ft-0659770

    41. 3,4-dihydroxy-5-nitrobenzaldehyde, Aldrichcpr

    42. 313d850

    43. Q-102830

    44. 3,4-dihydroxy-5-nitrobenzaldehyde; 3-nitro-4,5-dihydroxybenzaldehyde

    45. 3,4-dihydroxy-5-nitro-benzaldehyd Pound>>dhnb Compound Pound>>entacapone Ep Impurity C

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 183.12 g/mol
    Molecular Formula C7H5NO5
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass183.01677226 g/mol
    Monoisotopic Mass183.01677226 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity213
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY