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2D Structure
Also known as: 78385-26-9, 3-bromomethyl-3-methyloxetane, Oxetane, 3-(bromomethyl)-3-methyl-, 3-bromomethyl-3-methyl oxetane, Mfcd02684290, Oxetane, 3-bromomethyl-3-methyl-
Molecular Formula
C5H9BrO
Molecular Weight
165.03  g/mol
InChI Key
MGBZKWOJRYGRTO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(bromomethyl)-3-methyloxetane
2.1.2 InChI
InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
2.1.3 InChI Key
MGBZKWOJRYGRTO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(COC1)CBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 78385-26-9

2. 3-bromomethyl-3-methyloxetane

3. Oxetane, 3-(bromomethyl)-3-methyl-

4. 3-bromomethyl-3-methyl Oxetane

5. Mfcd02684290

6. Oxetane, 3-bromomethyl-3-methyl-

7. 3-methyl-3-bromomethyloxetane

8. Schembl254153

9. 3-bromomethyl-3-methyl-oxetane

10. Dtxsid2074409

11. 3-(bromomethyl)-3-methyl-oxetane

12. Zinc2583942

13. Akos006276628

14. Cs-w002970

15. Gs-4540

16. Pb21817

17. Sy008845

18. 3-bromomethyl-3-methyloxetane, Aldrichcpr

19. Db-003411

20. 2-(bromomethyl)-2-methyl-1,3-epoxypropane

21. Am20020048

22. B5424

23. Ft-0615229

24. A839406

25. J-512113

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 165.03 g/mol
Molecular Formula C5H9BrO
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass163.98368 g/mol
Monoisotopic Mass163.98368 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1