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2D Structure
Also known as: 3158-91-6, 2-chlorodibenzo(b,f)-1,4-oxazepin-11-one, Unii-xtg2e7m36o, Xtg2e7m36o, 2-chlorodibenz(b,f)(1,4)oxazepin-11(10h)-one, Einecs 221-602-1
Molecular Formula
C13H8ClNO2
Molecular Weight
245.66  g/mol
InChI Key
ZAGINEPNYIZLLO-UHFFFAOYSA-N
FDA UNII
XTG2E7M36O

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
2.1.2 InChI
InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
2.1.3 InChI Key
ZAGINEPNYIZLLO-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
XTG2E7M36O
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3158-91-6

2. 2-chlorodibenzo(b,f)-1,4-oxazepin-11-one

3. Unii-xtg2e7m36o

4. Xtg2e7m36o

5. 2-chlorodibenz(b,f)(1,4)oxazepin-11(10h)-one

6. Einecs 221-602-1

7. Chlorodibenzoxazepinone

8. Dibenz(b,f)(1,4)oxazepin-11(10h)-one, 2-chloro-

9. Dibenz[b,f][1,4]oxazepin-11(10h)-one, 2-chloro-

10. Loxapine Succinate Impurity, Chlorodibenzoxazepinone-[usp Impurity]

11. Loxapine Succinate Impurity, Chlorodibenzoxazepinone-(usp Impurity)

12. Refchem:197731

13. 2-chlorodibenzo[b,f][1,4]oxazepin-11(10h)-one

14. 2-chloro-10,11-dihydro-11-oxo-dibenzo[b,f][1,4]oxazepine

15. Mfcd06658244

16. 8-chloro-5h-benzo[b][1,4]benzoxazepin-6-one

17. 2-chlorodibenzo[b,f]-1,4-oxazepin-11(10h)-one

18. Schembl9967368

19. Schembl29753145

20. Zaginepnyizllo-uhfffaoysa-n

21. Akos015895411

22. Ac-5496

23. As-40649

24. Sy110537

25. Db-048074

26. Cs-0006919

27. 158c916

28. F211902

29. Q27293991

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 245.66 g/mol
Molecular Formula C13H8ClNO2
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area38.3
Heavy Atom Count17
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1