loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 4CH-015700, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    4CH-015700

    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: 41263-74-5, 4-methylamino-3-nitrobenzoic acid, 4-methylamino-3-nitro-benzoic acid, Benzoic acid, 4-(methylamino)-3-nitro-, Mfcd00464322, 4-(methylamino)-3-nitrobenzoicacid
    Molecular Formula
    C8H8N2O4
    Molecular Weight
    196.16  g/mol
    InChI Key
    KSMLIIWEQBYUKA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(methylamino)-3-nitrobenzoic acid
    2.1.2 InChI
    InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
    2.1.3 InChI Key
    KSMLIIWEQBYUKA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 41263-74-5

    2. 4-methylamino-3-nitrobenzoic Acid

    3. 4-methylamino-3-nitro-benzoic Acid

    4. Benzoic Acid, 4-(methylamino)-3-nitro-

    5. Mfcd00464322

    6. 4-(methylamino)-3-nitrobenzoicacid

    7. Nsc 138300

    8. Nsc138300

    9. Lead(ii)fluoride

    10. Schembl321911

    11. Chembl237731

    12. Dtxsid20300675

    13. 3-nitro-4-methylaminobenzoic Acid

    14. 4-methylamino-3-nitro Benzoicacid

    15. 4-methylamino-3-nitro Benzoic Acid

    16. Bcp08906

    17. Zinc3887891

    18. Ac-596

    19. Akos000214826

    20. Akos015965483

    21. Cs-w002629

    22. Ds-1047

    23. Nsc-138300

    24. Bp-30015

    25. Sy009730

    26. Db-070164

    27. A6844

    28. Am20061057

    29. Bb 0218125

    30. Ft-0647367

    31. M2423

    32. En300-09753

    33. 263m745

    34. Ae-641/04642006

    35. A1-00098

    36. J-513766

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.16 g/mol
    Molecular Formula C8H8N2O4
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass196.04840674 g/mol
    Monoisotopic Mass196.04840674 g/mol
    Topological Polar Surface Area95.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity238
    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