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    Technical details about 53449-14-2, learn more about the structure, uses, toxicity, action, side effects and more

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    53449-14-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 53449-14-2, 7-chloro-4-hydroxy-6-nitroquinazoline, 7-chloro-6-nitro-4-hydroxyquinazoline, 6-nitro-7-chloro-4-hydroxyquinazoline, 7-chloro-6-nitroquinazolin-4-ol, 7-chloro-6-nitroquinazolin-4-one
    Molecular Formula
    C8H4ClN3O3
    Molecular Weight
    225.59  g/mol
    InChI Key
    URDYTQYZXZKBQT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-6-nitro-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
    2.1.3 InChI Key
    URDYTQYZXZKBQT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CNC2=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 53449-14-2

    2. 7-chloro-4-hydroxy-6-nitroquinazoline

    3. 7-chloro-6-nitro-4-hydroxyquinazoline

    4. 6-nitro-7-chloro-4-hydroxyquinazoline

    5. 7-chloro-6-nitroquinazolin-4-ol

    6. 7-chloro-6-nitroquinazolin-4-one

    7. 7-chloro-6-nitro-3h-quinazolin-4-one

    8. 7-chloro-6-nitroquinazoline-4-ol

    9. 7-chloro-6-nitro-3,4-dihydroquinazolin-4-one

    10. 7-chloro-6-nitroquinazolin-4(1h)-one

    11. 4(1h)-quinazolinone, 7-chloro-6-nitro-

    12. 7-chloro-6-nitro-4-quinazolinol

    13. Mfcd07772904

    14. Ec 678-360-9

    15. 7-chloro-6-nitro-quinazolin-4-one

    16. Schembl642645

    17. Schembl16082531

    18. Amy4822

    19. Dtxsid90498376

    20. Urdytqyzxzkbqt-uhfffaoysa-n

    21. 6-nitro-7-chloroquinazolin-4-one

    22. 7-chloro-6-nitro-4-quinazolinone

    23. Bcp04762

    24. Mfcd20036247

    25. 7-chloro-6-nitro-4(3h)-quinazolone

    26. Akos005259814

    27. Akos009104345

    28. Akos028108850

    29. Cs-w014214

    30. Sb00005

    31. 7-chloro-6-nitro-4(3h)-quinazolinone

    32. Ac-25052

    33. Ds-11929

    34. Sy038096

    35. C2332

    36. Ft-0687568

    37. 7-chloro-6-nitro-4(3h)quinazolinone, 97%

    38. En300-26369

    39. A22506

    40. Ab00775270-01

    41. Z221605224

    2.3 Create Date
    2019-01-16
    3 Chemical and Physical Properties
    Molecular Weight 225.59 g/mol
    Molecular Formula C8H4ClN3O3
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area87.3
    Heavy Atom Count15
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1