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CAS 503070-57-3 manufacturers and suppliers on PharmaCompass

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Benzene,
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

Benzene,

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
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