CAS 33948-22-0

Chemistry

Chemistry

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

CAS 33948-22-0

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 Formula	C₁₅H₁₀ClNO
Molecular Weight	255.70 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.3
Heavy Atom Count	18
Formal Charge	0
Complexity	328
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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