Cas no 221292-48-4 (Benzene, 1,4-diiodo-2,5-dipropoxy-)
221292-48-4 structure
Product Name:Benzene, 1,4-diiodo-2,5-dipropoxy-
CAS No:221292-48-4
MF:C12H16I2O2
MW:446.063188552856
CID:1408017
PubChem ID:10917277
Update Time:2025-04-20
Benzene, 1,4-diiodo-2,5-dipropoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-diiodo-2,5-dipropoxy-
- 1,4-bis(propyloxy)-2,5-diiodobenzene
- InChI=1/C12H16I2O2/c1-3-5-15-11-7-10(14)12(8-9(11)13)16-6-4-2/h7-8H,3-6H2,1-2H
- DB-363101
- DTXSID90448250
- 221292-48-4
-
- Inchi： 1S/C12H16I2O2/c1-3-5-15-11-7-10(14)12(8-9(11)13)16-6-4-2/h7-8H,3-6H2,1-2H3
- InChI Key： XEIABPQMDIQKBB-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=CC=1OCCC)I)OCCC
Computed Properties
- Exact Mass: 445.92308
- Monoisotopic Mass: 445.92397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,4-diiodo-2,5-dipropoxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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