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2D Structure
Also known as: 33070-32-5, 5-bromo-2,2-difluorobenzodioxole, 5-bromo-2,2-difluoro-2h-1,3-benzodioxole, 5-bromo-2,2-difluorobenzo[d][1,3]dioxole, Mfcd00236212, 5-bromo-2,2-difluoro-benzo[1,3]dioxole
Molecular Formula
C7H3BrF2O2
Molecular Weight
237.00  g/mol
InChI Key
SZRHWHHXVXSGMT-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-2,2-difluoro-1,3-benzodioxole
2.1.2 InChI
InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
2.1.3 InChI Key
SZRHWHHXVXSGMT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1Br)OC(O2)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 33070-32-5

2. 5-bromo-2,2-difluorobenzodioxole

3. 5-bromo-2,2-difluoro-2h-1,3-benzodioxole

4. 5-bromo-2,2-difluorobenzo[d][1,3]dioxole

5. Mfcd00236212

6. 5-bromo-2,2-difluoro-benzo[1,3]dioxole

7. 1,3-benzodioxole, 5-bromo-2,2-difluoro-

8. 4-bromo-1,2-(difluoromethylenedioxy)benzene

9. Schembl12046

10. Ambz0129

11. Dtxsid20371244

12. Bcp15764

13. Zinc2560117

14. Bbl100895

15. Stl554689

16. Akos003612230

17. Am85729

18. Cs-w001170

19. Pb24651

20. Ps-7636

21. 5-bromo2,2-difluoro-1,3-benzodioxole

22. 2,2-difluoro-5-bromo-1,3-benzodioxole

23. Sy009399

24. 5-bromo-2,2-difluoro- 1,3-benzodioxole

25. 5-bromo-2,2-difluoro-1,3-benzodioxolane

26. A5907

27. B3781

28. Bb 0300680

29. Ft-0620067

30. 199b142

31. 5-bromo-2,2-difluoro-1,3-benzodioxole, Aldrichcpr

32. Q-101060

33. Z2230863249

34. 5-bromo-2,2-difluoro-benzo[1,3]dioxole;5-bromo-2,2-difluoro-1,3-benzodioxole

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 237.00 g/mol
Molecular Formula C7H3BrF2O2
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass235.92845 g/mol
Monoisotopic Mass235.92845 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1