CAS 36865-41-5

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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

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 Formula	C₄H₉BrO
Molecular Weight	153.02 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	151.98368 g/mol
Monoisotopic Mass	151.98368 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	23.5
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