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2D Structure
Also known as: 4360-63-8, 2-(bromomethyl)-1,3-dioxolane, Bromoacetaldehyde ethylene acetal, 1,3-dioxolane, 2-(bromomethyl)-, Mfcd00003214, Einecs 224-443-6
Molecular Formula
C4H7BrO2
Molecular Weight
167.00  g/mol
InChI Key
CKIIJIDEWWXQEA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(bromomethyl)-1,3-dioxolane
2.1.2 InChI
InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
2.1.3 InChI Key
CKIIJIDEWWXQEA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC(O1)CBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4360-63-8

2. 2-(bromomethyl)-1,3-dioxolane

3. Bromoacetaldehyde Ethylene Acetal

4. 1,3-dioxolane, 2-(bromomethyl)-

5. Mfcd00003214

6. Einecs 224-443-6

7. Bromoacetaldehyde Diethyl Acetall

8. Bromomethyl Dioxolane

9. (1,3-dioxolan-2-yl)methyl Bromide

10. 2-bromomethyl-1,3-dioxolan

11. Schembl169073

12. 2-bromomethyl-[1,3]dioxolane

13. 2-bromomethyl-1, 3-dioxolane

14. Dtxsid1063431

15. Bromomethyl-1,3-dioxolane, 2-

16. Ckiijidewwxqea-uhfffaoysa-

17. (1,3-dioxolan-2-yl)methylbromide

18. Amy39416

19. Bbl027424

20. Stl370326

21. 2-bromomethyl-1,3-dioxolane, 96%

22. Akos005216542

23. Cs-w021428

24. As-17571

25. Sy013531

26. B1152

27. Ft-0611577

28. En300-77092

29. O10502

30. A826339

31. W-106221

32. F2190-0187

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 167.00 g/mol
Molecular Formula C4H7BrO2
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area18.5
Heavy Atom Count7
Formal Charge0
Complexity51.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1