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    Technical details about CAS 619-80-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-619-80-7

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    Centrient is a leading manufacturer of Beta-Lactam Antibiotics and a provider of next-generation Statins and Antifungals.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: 619-80-7, P-nitrobenzamide, Benzamide, 4-nitro-, Benzamide, p-nitro-, 4-nitro-benzamide, Nsc 2902
    Molecular Formula
    C7H6N2O3
    Molecular Weight
    166.13  g/mol
    InChI Key
    ZESWUEBPRPGMTP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-nitrobenzamide
    2.1.2 InChI
    InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
    2.1.3 InChI Key
    ZESWUEBPRPGMTP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 619-80-7

    2. P-nitrobenzamide

    3. Benzamide, 4-nitro-

    4. Benzamide, P-nitro-

    5. 4-nitro-benzamide

    6. Nsc 2902

    7. Einecs 210-613-7

    8. Ai3-01346

    9. Mfcd00007994

    10. P-nitrobenzamide, 98%

    11. 4-nitrobenzamide, 98%

    12. Dsstox_cid_2086

    13. Dsstox_rid_76483

    14. Dsstox_gsid_22086

    15. Schembl260727

    16. Chembl1483601

    17. Dtxsid8022086

    18. Schembl10048528

    19. Nsc2902

    20. Zinc163490

    21. Act04846

    22. Nsc-2902

    23. Tox21_200343

    24. Bbl003846

    25. Stk395626

    26. Akos003261392

    27. Ms-9497

    28. Ncgc00090909-01

    29. Ncgc00090909-02

    30. Ncgc00257897-01

    31. Cas-619-80-7

    32. Nci60_002383

    33. Db-030268

    34. Ft-0619203

    35. N0323

    36. 19n807

    37. Ae-641/00419025

    38. W-105064

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 166.13 g/mol
    Molecular Formula C7H6N2O3
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area88.9
    Heavy Atom Count12
    Formal Charge0
    Complexity191
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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