2-bromo benzotrifluoride

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Also known as: 392-83-6, 1-bromo-2-(trifluoromethyl)benzene, O-bromobenzotrifluoride, Benzene, 1-bromo-2-(trifluoromethyl)-, 2-brombenzotrifluorid, 2-bromo-alpha,alpha,alpha-trifluorotoluene

Molecular Formula

C₇H₄BrF₃

Molecular Weight

225.01 g/mol

InChI Key

RWXUNIMBRXGNEP-UHFFFAOYSA-N

1 2D Structure

CAS 392-83-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-2-(trifluoromethyl)benzene

2.1.2 InChI

InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

2.1.3 InChI Key

RWXUNIMBRXGNEP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(F)(F)F)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 392-83-6

2. 1-bromo-2-(trifluoromethyl)benzene

3. O-bromobenzotrifluoride

4. Benzene, 1-bromo-2-(trifluoromethyl)-

5. 2-brombenzotrifluorid

6. 2-bromo-alpha,alpha,alpha-trifluorotoluene

7. O-bromobenzyltrifluoride

8. O-(trifluoromethyl)bromobenzene

9. 1-bromo-2-trifluoromethyl-benzene

10. 2-bromotrifluoromethylbenzene

11. Toluene, O-bromo-.alpha.,.alpha.,.alpha.-trifluoro-

12. Mfcd00000373

13. 2-brombenzotrifluorid [czech]

14. Brn 1945750

15. Einecs 206-879-9

16. 2-(trifluoromethyl)bromobenzene

17. Toluene, Alpha,alpha,alpha-trifluoro-2-bromo-

18. Bromobenzotrifluoride

19. 2-bromo Benzotrifluoride

20. 2-bromobenzo Trifluoride

21. 4-bromo-3-(trifluoromethyl)benzene

22. Trifluoromethylbromobenzene

23. O-bromotrifluoromethylbenzene

24. O-trifluoromethylbromobenzene

25. 2-trifluoromethylbromobenzene

26. Toluene, O-bromo-alpha,alpha,alpha-trifluoro-

27. O-trifluoromethyl-bromobenzene

28. 2-trifluoromethyl-bromobenzene

29. Schembl363301

30. 2-bromobenzotrifluoride, 99%

31. O-bromo(trifluoromethyl)benzene

32. O-bromo-a,a,a-trifluorotoluene

33. Dtxsid7059939

34. 1-bromo-2-trifluoromethylbenzene

35. 2-bromo-(trifluoromethyl)benzene

36. 2-bromo-1-trifluoromethylbenzene

37. Bromo-2-(trifluoromethyl)benzene

38. 2-(trifluoromethyl)phenyl Bromide

39. 1-bromo-2-trifluoromethyl Benzene

40. Act13084

41. Zinc2040685

42. 1-bromo-2-(trifluoromethyl)benzene #

43. Akos015853138

44. Am61945

45. Rp10155

46. Ac-14089

47. As-11984

48. 2-bromo-i+/-,i+/-,i+/--trifluorotoluene

49. A5893

50. A6580

51. B0663

52. Cs-0016026

53. Ft-0611387

54. Ft-0655198

55. En300-65432

56. O-bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene

57. W-106448

58. Toluene, .alpha.,.alpha.,.alpha.-trifluoro-2-bromo-

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₄BrF₃
Molecular Weight	225.01 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	223.94485 g/mol
Monoisotopic Mass	223.94485 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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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