1,4-Diiodo-2,5-bis(octyloxy)benzene - CAS 145483-68-7
Catalog: |
BB067457 |
Product Name: |
1,4-Diiodo-2,5-bis(octyloxy)benzene |
CAS: |
145483-68-7 |
Synonyms: |
1,4-Bis(n-octyloxy)-2,5-diiodobenzene; 1,4-Bis(octyloxy)-2,5-diiodobenzene; 1,4-Diiodo-2,5-di(octyloxy)benzene; 1,4-Dioctyloxy-2,5-diiodobenzene; 2,5-Diiodo-1,4-bis(octyloxy)benzene; 2,5-Dioctyloxy-1,4-diiodobenzene |
IUPAC Name: | 1,4-diiodo-2,5-dioctoxybenzene |
Description: | 1,4-Diiodo-2,5-bis(octyloxy)benzene is a useful intermediate for the synthesis of hybrid block copolymers containing conjugated poly(phenyleneethylene) (PPE) and stereoregular poly(Ph isocyanide) (PPI) using palladium(II) complex as a single catalyst. |
Molecular Weight: | 586.33 |
Molecular Formula: | C22H36I2O2 |
Canonical SMILES: | CCCCCCCCOC1=CC(=C(C=C1I)OCCCCCCCC)I |
InChI: | InChI=1S/C22H36I2O2/c1-3-5-7-9-11-13-15-25-21-17-20(24)22(18-19(21)23)26-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3 |
InChI Key: | CRJMVBFLAJFWTD-UHFFFAOYSA-N |
References: | Su, M., et al. Macromolecules , 49, 110 (2016). |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 586.08048 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 586.08048 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 10 |
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