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    CAS 33948-22-0

    PharmaCompass
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    2D Structure
    Also known as: 33948-22-0, Dibenz [b,f]azepine-5-carbonyl chloride, Iminostilbene n-carbonyl chloride, Benzo[b][1]benzazepine-11-carbonyl chloride, 5h-dibenz[b,f]azepine-5-carbonyl chloride, Iminostilbene n-carbonylchloride
    Molecular Formula
    C15H10ClNO
    Molecular Weight
    255.70  g/mol
    InChI Key
    APJYHXJGXDPGBA-UHFFFAOYSA-N
    FDA UNII
    VUJ563PAI3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzo[b][1]benzazepine-11-carbonyl chloride
    2.1.2 InChI
    InChI=1S/C15H10ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H
    2.1.3 InChI Key
    APJYHXJGXDPGBA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    VUJ563PAI3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 33948-22-0

    2. Dibenz [b,f]azepine-5-carbonyl Chloride

    3. Iminostilbene N-carbonyl Chloride

    4. Benzo[b][1]benzazepine-11-carbonyl Chloride

    5. 5h-dibenz[b,f]azepine-5-carbonyl Chloride

    6. Iminostilbene N-carbonylchloride

    7. C15h10clno

    8. Vuj563pai3

    9. N-(chlorocarbonyl)-5h-dibenz[b,f]azepine

    10. 5-(chlorocarbonyl)-5h-dibenz(b,f)azepine

    11. 5-(chlorocarbonyl)-5h-dibenz[b,f]azepine

    12. 5h-dibenzo[b,f]azepine-5-carbonyl Chloride (5-chlorocarbonyliminostilbene)

    13. N-(chlorocarbonyl)-5h-dibenz(b,f)azepine

    14. 5h-dibenzo(b,f)azepine-5-carbonyl Chloride

    15. Unii-vuj563pai3

    16. Carbamazepine Impurity F

    17. Schembl2211282

    18. Chembl3580715

    19. Dtxsid00187567

    20. 5-chlorocarbonyldibenz[b,f]azepine

    21. Zinc404102

    22. N-chlorocarbonyl Dibenz[b,f]azepine

    23. Mfcd00792462

    24. Stk551771

    25. Carbamazepine Impurity F [ip]

    26. Akos005478792

    27. 5-chlorocarbonyl-5h-dibenz[b,f]azepine

    28. 5h-dibenz[b,f]azepine-5-carbonylchloride

    29. Ac-30188

    30. As-13135

    31. 5h-dibenzo[b,f]azepine-5-carbonylchloride

    32. Db-015106

    33. Ft-0620440

    34. Carbamazepine Impurity F [ep Impurity]

    35. 5h-dibenzo[b,f]azepine-5-carbonyl Chloride #

    36. Dibenz [b,f]azepine-5-carbonyl Chloride, 95%

    37. (z)-5h-dibenzo[b,f]azepine-5-carbonyl Chloride

    38. A822012

    39. Q-200954

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 255.70 g/mol
    Molecular Formula C15H10ClNO
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area20.3
    Heavy Atom Count18
    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