1,4-Bis(hexyloxy)-2,5-diiodobenzene - CAS 153033-31-9
Catalog: |
BB072935 |
Product Name: |
1,4-Bis(hexyloxy)-2,5-diiodobenzene |
CAS: |
153033-31-9 |
Synonyms: |
1,4-BIS(HEXYLOXY)-2,5-DIIODOBENZENE; 1,4-dihexoxy-2,5-diiodobenzene; 1,4-DIIODO-2,5-BIS(HEXYLOXY)BENZENE |
IUPAC Name: | 1,4-dihexoxy-2,5-diiodobenzene |
Molecular Weight: | 530.22 |
Molecular Formula: | C18H28I2O2 |
Canonical SMILES: | CCCCCCOC1=CC(=C(C=C1I)OCCCCCC)I |
InChI: | InChI=1S/C18H28I2O2/c1-3-5-7-9-11-21-17-13-16(20)18(14-15(17)19)22-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
InChI Key: | UKAQRFPWGYNCHD-UHFFFAOYSA-N |
References: | Bode, S., et al. Polym. Chem., 5, 2574 (2014). |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 530.01788 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 530.01788 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.8 |
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