CAS 33070-32-5

Chemistry

Chemistry

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

CAS 33070-32-5

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 Formula	C₇H₃BrF₂O₂
Molecular Weight	237.00 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	235.92845 g/mol
Monoisotopic Mass	235.92845 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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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