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153033-31-9 | Benzene,1,4-bis(hexyloxy)-2,5-diiodo-
CAS No: 153033-31-9 Catalog No: AG007J8X MDL No:
Product Description
Catalog Number:
AG007J8X
Chemical Name:
Benzene,1,4-bis(hexyloxy)-2,5-diiodo-
CAS Number:
153033-31-9
Molecular Formula:
C18H28I2O2
Molecular Weight:
530.2227
IUPAC Name:
1,4-dihexoxy-2,5-diiodobenzene
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
SMILES:
CCCCCCOc1cc(I)c(cc1I)OCCCCCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.229g/mol
Monoisotopic Mass:
530.018g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| 1,4-Bis(hex-yloxy)-2,5-diiodo-benzene. | Acta crystallographica. Section E, Structure reports online 20100401 |
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