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Also known as: 2-(2-ethoxyphenoxy)ethyl bromide, 3259-03-8, 2-(2-ethoxyphenoxy)ethylbromide, Benzene, 1-(2-bromoethoxy)-2-ethoxy-, 1-(2-bromoethoxy)-2-ethyoxybenzene, Mfcd02030483
Molecular Formula
C10H13BrO2
Molecular Weight
245.11  g/mol
InChI Key
IOYHGBZPUZBUTJ-UHFFFAOYSA-N
FDA UNII
GMJ3274102

CAS 3259-03-8
1 2D Structure

CAS 3259-03-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-bromoethoxy)-2-ethoxybenzene
2.1.2 InChI
InChI=1S/C10H13BrO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3
2.1.3 InChI Key
IOYHGBZPUZBUTJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=CC=C1OCCBr
2.2 Other Identifiers
2.2.1 UNII
GMJ3274102
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-(2-ethoxyphenoxy)ethyl Bromide

2. 3259-03-8

3. 2-(2-ethoxyphenoxy)ethylbromide

4. Benzene, 1-(2-bromoethoxy)-2-ethoxy-

5. 1-(2-bromoethoxy)-2-ethyoxybenzene

6. Mfcd02030483

7. Gmj3274102

8. 2-(2-bromoethoxy)phenetole

9. 1-(2-bromoethoxy)-2-ethoxy-benzene

10. Tamsulosin Impurity I

11. Ethyl4-boronocinnamate

12. Schembl1412326

13. 2-(o-ethoxyphenoxy)ethylbromide

14. Unii-gmj3274102

15. 2-(o-ethoxyphenoxy)ethyl Bromide

16. Dtxsid10186283

17. Amy31226

18. Zinc2388622

19. Akos000164018

20. Ac-5615

21. Cs-w002871

22. Ds-1212

23. Sy030339

24. B3191

25. Ft-0634750

26. En300-93023

27. 259e038

28. Q27279176

29. Tamsulosin Hydrochloride Impurity I [ep Impurity]

30. 1-(2-bromoethoxy)-2-ethoxybenzene;2-(2-bromoethoxy)phenetole

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 245.11 g/mol
Molecular Formula C10H13BrO2
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass244.00989 g/mol
Monoisotopic Mass244.00989 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity130
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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