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Overview of CAS 1435-52-5

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4CH-013241
PharmaCompass
  • Chemistry
4CH-013241
Also known as: 1,4-dibromo-2-fluorobenzene, 1435-52-5, 2-fluoro-4-bromobromobenzene, 4-bromo-2-fluorobromobenzene, 2,5-dibromofluorobenzene, Benzene, 1,4-dibromo-2-fluoro-
Molecular Formula
C6H3Br2F
Molecular Weight
253.896  g/mol
InChI Key
WNSNPGHNIJOOPM-UHFFFAOYSA-N

1 2D Structure

4CH-013241

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-dibromo-2-fluorobenzene
2.1.2 InChI
InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
2.1.3 InChI Key
WNSNPGHNIJOOPM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1,4-dibromo-2-fluorobenzene

2. 1435-52-5

3. 2-fluoro-4-bromobromobenzene

4. 4-bromo-2-fluorobromobenzene

5. 2,5-dibromofluorobenzene

6. Benzene, 1,4-dibromo-2-fluoro-

7. 1,4-dibromo-2-fluorobenzene98%

8. Wnsnpghnijoopm-uhfffaoysa-n

9. 2,5-dibromo-1-fluorobenzene

10. Mfcd00010603

11. Nsc402971

12. Pubchem3448

13. Ac1l39oz

14. Ksc494g9h

15. Schembl325998

16. 1,4-dibromo-2-fluoro-benzene

17. 2,5-dibromofluorobenzene 98%

18. Acmc-1c006

19. Ctk3j4393

20. Dtxsid10162446

21. Zinc409336

22. 1,4-dibromo-2-fluorobenzene 98%

23. Ks-00000d9q

24. Anw-20792

25. Sbb101337

26. 1,4-dibromo-2-fluorobenzene, 98%

27. 1,4-dibromo-2-fluorobenzene, 99+%

28. Akos015835210

29. Am61328

30. As03552

31. Cs-w008202

32. Ls11494

33. Nsc-402971

34. Rtc-062330

35. Tf10657

36. Tra0021675

37. Vz20693

38. Aj-22742

39. Ak-54888

40. An-49191

41. As-19431

42. Bc002472

43. Bp-12757

44. Br-54888

45. Cj-04225

46. Sc-01093

47. Sy020716

48. Zb013958

49. Ab0034050

50. Db-042693

51. St2408475

52. Tc-062330

53. 4ch-013241

54. D2212

55. Ft-0610278

56. St50405487

57. X8141

58. Mfcd00010603 (98%)

59. C-4609

60. I01-5281

61. Inchi=1/c6h3br2f/c7-4-1-2-5(8)6(9)3-4/h1-3

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 253.896 g/mol
Molecular Formula C6H3Br2F
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass253.857 g/mol
Monoisotopic Mass251.859 g/mol
Topological Polar Surface Area0 A^2
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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