Cas no 83935-63-1 (4'-Isocyanatobenzo-18-crown-6)
4'-Isocyanatobenzo-18-crown-6 structure
Product Name:4'-Isocyanatobenzo-18-crown-6
CAS No:83935-63-1
MF:C17H23NO7
MW:353.367025613785
CID:860534
Update Time:2023-08-03
4'-Isocyanatobenzo-18-crown-6 Chemical and Physical Properties
Names and Identifiers
-
- 4'-isocyanatobenzo-18-crown-6
- 20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
- ST50826266
- 3,4-[Ethylenebis(oxyethyleneoxyethyleneoxy)]phenyl isocyanate
- 4'-Isocyanatobenzo-18-crown-6
-
- Inchi： 1S/C17H23NO7/c19-14-18-15-1-2-16-17(13-15)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-16/h1-2,13H,3-12H2
- InChI Key： VWCCEWBARYUXRO-UHFFFAOYSA-N
- SMILES： O1CCOCCOC2C=C(C=CC=2OCCOCCOCC1)N=C=O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 389
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.1
- Topological Polar Surface Area: 84.8
Experimental Properties
- Color/Form: Not available
- Density: 1.1743 (rough estimate)
- Melting Point: 61 °C
- Boiling Point: 486.79°C (rough estimate)
- Refractive Index: 1.5200 (estimate)
- Solubility: Not available
4'-Isocyanatobenzo-18-crown-6 Related Literature
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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