CAS 86499-96-9

Chemistry, 1 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 86499-96-9, 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one, 3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one, 3-bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-bromo-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine

Molecular Formula

C₁₀H₁₀BrNO

Molecular Weight

240.10 g/mol

InChI Key

JMXPGCGROVEPID-UHFFFAOYSA-N

1 2D Structure

CAS 86499-96-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

2.1.2 InChI

InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)

2.1.3 InChI Key

JMXPGCGROVEPID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=CC=CC=C2NC(=O)C1Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86499-96-9

2. 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one

3. 3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

4. 3-bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

5. 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

6. 3-bromo-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine

7. 2h-1-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-

8. 3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one

9. Mfcd03085918

10. A-bromobenzocaprolactam

11. Alpha-bromobenzo-caprolactam

12. 3-bromo-1,3,4,5-tetrahydro-2h-benzazepin-2-one

13. 3-bromo-1,3,4,5-tetrahydro-2h-1-benzazepine-2-one

14. 3-bromo-2,3,4,5-tetrahydro-2h-1-benzazepin-2-one

15. Schembl2214341

16. 3-bromo-1,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

17. Amy4125

18. Dtxsid40373760

19. Albb-029081

20. Bcp34603

21. Bbl010024

22. Stk711122

23. Akos005530697

24. Ac-6870

25. Sb39152

26. As-10875

27. Sy020870

28. Db-022302

29. B3393

30. Cs-0004294

31. Ft-0642044

32. 3-bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

33. 499b969

34. A841687

35. An-668/40768842

36. 3-bromo-4,5-dihydro-1h-1-benzoazepine-2(3h)-one

37. J-511785

38. 3-bromo-1,3,4,5-tertrahydro-2h-1-benzazepin-2-one

39. 3-bromo-1,3,4,5-tetrahydro-2h-1-benzaepine-2-one

40. 2h-1-benzazepin-2-one,3-bromo-1,3,4,5-tetrahydro-

41. 3-bromo-2,3,4,5-tetrahydro-1h-[1]-benzazepin-2-one

42. 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one;3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one

43. 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one;3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀BrNO
Molecular Weight	240.10 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	238.99458 g/mol
Monoisotopic Mass	238.99458 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1