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Also known as: 36865-41-5, 3-bromopropyl methyl ether, 1,3-bromomethoxypropane, 3-bromo-1-methoxypropane, Propane, 1-bromo-3-methoxy-, 3-methoxypropylbromide
Molecular Formula
C4H9BrO
Molecular Weight
153.02  g/mol
InChI Key
CEVMYGZHEJSOHZ-UHFFFAOYSA-N

CAS 36865-41-5
1 2D Structure

CAS 36865-41-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-3-methoxypropane
2.1.2 InChI
InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3
2.1.3 InChI Key
CEVMYGZHEJSOHZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 36865-41-5

2. 3-bromopropyl Methyl Ether

3. 1,3-bromomethoxypropane

4. 3-bromo-1-methoxypropane

5. Propane, 1-bromo-3-methoxy-

6. 3-methoxypropylbromide

7. 3-methoxypropyl Bromide

8. 3-methoxybromopropane

9. 3-bromo-methoxypropane

10. 3-bromopropylmethylether

11. 3-methoxy-1-bromopropane

12. 1-methoxy-3-bromopropane

13. Gamma-methoxypropyl Bromide

14. 1-bromo-3-methoxy Propane

15. 1-bromo-3-methoxy-propane

16. 3-bromo-1-methoxy Propane

17. Schembl8171

18. 1-bromanyl-3-methoxy-propane

19. 1-bromo-3-(methyloxy)propane

20. Dtxsid00335324

21. Albb-030141

22. Zinc2392168

23. Bbl101812

24. Mfcd02258473

25. Stl555609

26. 1-bromo-3-methoxypropane, Aldrichcpr

27. Akos005255555

28. Cs-w010945

29. Gs-3265

30. Db-013208

31. Am20090592

32. B3499

33. Ft-0657681

34. F11235

35. A823412

36. J-504428

37. F0001-1062

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 153.02 g/mol
Molecular Formula C4H9BrO
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass151.98368 g/mol
Monoisotopic Mass151.98368 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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