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    Technical details about CAS 1218-69-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1218-69-5

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    2D Structure
    Also known as: 1218-69-5, 2-(2-hydroxyphenyl)-4h-1,3-benzoxazin-4-one, Deferasirox benzoxazin impurity, 4h-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-, 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one, Fq3ss25rj9
    Molecular Formula
    C14H9NO3
    Molecular Weight
    239.23  g/mol
    InChI Key
    NSWIROGSZPXREF-UHFFFAOYSA-N
    FDA UNII
    FQ3SS25RJ9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
    2.1.2 InChI
    InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
    2.1.3 InChI Key
    NSWIROGSZPXREF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O
    2.2 Other Identifiers
    2.2.1 UNII
    FQ3SS25RJ9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1218-69-5

    2. 2-(2-hydroxyphenyl)-4h-1,3-benzoxazin-4-one

    3. Deferasirox Benzoxazin Impurity

    4. 4h-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-

    5. 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one

    6. Fq3ss25rj9

    7. Mfcd02234511

    8. 2-(2-hydroxyphenyl)benz[e][1,3]oxazin-4-one

    9. 2-(2-hydroxyphenyl)-4h-1,3-benzoxazine-4-one

    10. 2-(2-hydroxyphenyl)benz(e][1,3]oxazin-4-one

    11. Unii-fq3ss25rj9

    12. Oprea1_522502

    13. Schembl61277

    14. Deferasirox Impurity B [ep]

    15. Bcp11393

    16. Zinc39279020

    17. Akos015909621

    18. Ac-8966

    19. Am84357

    20. Ss-4797

    21. Sy030380

    22. Db-061981

    23. Cs-0315238

    24. Deferasirox Impurity B [ep Impurity]

    25. Ft-0670006

    26. H1653

    27. 2-(2-hydroxyphenyl)-benz[1,3]oxazin-4-one

    28. 2-(2-hydroxyphenyl)benz[e][1,3]oxazin4-one

    29. 2-(2-hydroxyphenyl)-1,3(4h)-benzoxazin-4-one

    30. 2-(2-hydroxyphenyl)-benz[e][1,3]oxazin-4-one

    31. 2-(2-hydroxyphenyl)-4h-1,3-benzooxazine-4-one

    32. 218h695

    33. A852196

    34. 2-(2-hydroxy-phenyl)-benzo[e][1,3]oxazin-4-one

    35. J-505646

    36. 2-(2-hydroxyphenyl) Benz [e] [1, 3] Oxazin-4-one

    37. Benzoxazinone Analog; 2-(2-hydroxyphenyl)-4h-1,3-benzoxazin-4-one; 2-(2'-hydroxyphenyl)-4h-1,3-benzoxazin-4-one; 2-(o-hydroxyphenyl)-4h-1,3-benzoxazin-4-one

    2.4 Create Date
    2019-01-16
    3 Chemical and Physical Properties
    Molecular Weight 239.23 g/mol
    Molecular Formula C14H9NO3
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass239.058243149 g/mol
    Monoisotopic Mass239.058243149 g/mol
    Topological Polar Surface Area58.9 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity366
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1