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CAS 154607-01-9
PharmaCompass
  • Chemistry
CAS 154607-01-9
Also known as: 154607-01-9, 2-chloro-4-bromobenzonitrile, 4-bromo-2-chloro-benzonitrile, Benzonitrile, 4-bromo-2-chloro-, Ayqbmznsjpvadt-uhfffaoysa-n, 4-bromo-2-chlorobenzenecarbonitrile
Molecular Formula
C7H3BrClN
Molecular Weight
216.462  g/mol
InChI Key
AYQBMZNSJPVADT-UHFFFAOYSA-N

1 2D Structure

CAS 154607-01-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-2-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
2.1.3 InChI Key
AYQBMZNSJPVADT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)Cl)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 154607-01-9

2. 2-chloro-4-bromobenzonitrile

3. 4-bromo-2-chloro-benzonitrile

4. Benzonitrile, 4-bromo-2-chloro-

5. Ayqbmznsjpvadt-uhfffaoysa-n

6. 4-bromo-2-chlorobenzenecarbonitrile

7. Sbb065200

8. Ak-33450

9. Pubchem12801

10. Intermediates-zcf02177

11. Acmc-209db5

12. Ksc497g8d

13. Schembl267151

14. Ctk3j7381

15. Dtxsid10426651

16. Molport-002-317-206

17. Acn-s004486

18. Act00398

19. Ks-00000ix1

20. Zinc2390020

21. Zx-at016028

22. Anw-21519

23. Mfcd00040883

24. Td1119

25. Akos005259726

26. Am61342

27. As02396

28. Cm12952

29. Cs-w002192

30. Fch4773454

31. Hch0022976

32. Ls11359

33. Mcule-3677648512

34. Or48257

35. Rp26998

36. Rtr-006437

37. Vz35363

38. 4-bromo-2-chlorobenzonitrile, Aldrichcpr

39. Ac-26118

40. Aj-35647

41. As-18889

42. Bbv-36828951

43. Bc003699

44. Br-33450

45. Cj-08364

46. Kb-22248

47. Sc-68691

48. Ab0005279

49. Ax8018567

50. Tr-006437

51. B4241

52. Ft-0081766

53. Ft-0617758

54. St24028933

55. St50408767

56. X3124

57. B-2982

58. I01-7285

59. J-508724

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 216.462 g/mol
Molecular Formula C7H3BrClN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass214.914 g/mol
Monoisotopic Mass214.914 g/mol
Topological Polar Surface Area23.8 A^2
Heavy Atom Count10
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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