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Also known as: 503070-57-3, 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene, Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro, 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene, Mfcd21337362, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene
Molecular Formula
C15H21BrCl2O2
Molecular Weight
384.1  g/mol
InChI Key
AKLUHFHHUBIDQA-UHFFFAOYSA-N

CAS 503070-57-3
1 2D Structure

CAS 503070-57-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene
2.1.2 InChI
InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2
2.1.3 InChI Key
AKLUHFHHUBIDQA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 503070-57-3

2. 2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

3. Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro

4. 2-[2-(6-bromohexoxy)ethoxymethyl]-1,3-dichlorobenzene

5. Mfcd21337362

6. 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichlorobenzene

7. 2-(2-(6-bromohexyloxy)ethoxymethyl)-1,3-dichlorobenzene

8. 2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

9. Vilanterol Intermediate

10. Schembl924842

11. Amy30043

12. Bcp17123

13. Cs-m2591

14. Zinc114854410

15. Ac-30864

16. Ds-12378

17. Sy046035

18. Ft-0777906

19. F11658

20. 2-[2-(6-bromo-hexyloxy)-ethoxvmethyl]-1,3-dichloro-benzene

21. 2-[2-(6-bromo-hexyloxy)-ethoxymethyl]-1,3-dichloro-benzene

22. Benzene,2-((2-((6-bromohexyl)oxy)ethoxy)methyl)-1,3-dichloro-

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 384.1 g/mol
Molecular Formula C15H21BrCl2O2
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass382.01020 g/mol
Monoisotopic Mass382.01020 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity222
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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