CAS 503070-57-3

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Chemistry

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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

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 Formula	C₁₅H₂₁BrCl₂O₂
Molecular Weight	384.1 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	382.01020 g/mol
Monoisotopic Mass	382.01020 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	222
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