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2D Structure
Also known as: 94749-73-2, 4-(6-bromohexoxy)butylbenzene, (4-((6-bromohexyl)oxy)butyl)benzene, (4-(6-bromohexyloxy)butyl)benzene, [4-[(6-bromohexyl)oxy]butyl]benzene, {4-[(6-bromohexyl)oxy]butyl}benzene
Molecular Formula
C16H25BrO
Molecular Weight
313.27  g/mol
InChI Key
HYRIAERKUPZOCS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(6-bromohexoxy)butylbenzene
2.1.2 InChI
InChI=1S/C16H25BrO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
2.1.3 InChI Key
HYRIAERKUPZOCS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCCOCCCCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 94749-73-2

2. 4-(6-bromohexoxy)butylbenzene

3. (4-((6-bromohexyl)oxy)butyl)benzene

4. (4-(6-bromohexyloxy)butyl)benzene

5. [4-[(6-bromohexyl)oxy]butyl]benzene

6. {4-[(6-bromohexyl)oxy]butyl}benzene

7. Schembl454150

8. 4-(6-bromohexyloxy)butylbenzene

9. Amy7538

10. Dtxsid50451902

11. 4-(6-bromohexyloxy)-butylbenzene

12. 6-(4-phenylbutoxy)-hexyl-bromide

13. 4-[(6-bromohexyl)oxy]butylbenzene

14. 6-(4-phenyl-butoxy)-hexyl Bromide

15. Zinc2569980

16. (6-bromohexyl)(4-phenylbutyl) Ether

17. 1-(4-(6-bromohexyloxy)butyl)benzene

18. [4-[(6-bromohexyl)oxyl]butyl]benzene

19. Ab92080

20. [4-(6-bromo-hexyloxy)-butyl]-benzene

21. 1-bromo-6-(4-phenylbut-1-yloxy)hexane

22. Cs-0458176

23. Ft-0729971

24. E88175

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 313.27 g/mol
Molecular Formula C16H25BrO
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area9.2
Heavy Atom Count18
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1