Cas no 14055-51-7 ( )
structure
Product Name:
CAS No:14055-51-7
MF:C15H5F9O3
MW:404.184036016464
CID:903137
PubChem ID:297561
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzoate
- 4-Carbethoxy-nonafluorodiphenyl-ether
- 4-Carboaethoxynonafluordiphenylaether
- AC1L6RSY
- NSC168744
- NSC-168744
- DTXSID60305003
- 14055-51-7
- ethyl-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzoate
-
-
- Inchi： 1S/C15H5F9O3/c1-2-26-15(25)3-4(16)9(21)13(10(22)5(3)17)27-14-11(23)7(19)6(18)8(20)12(14)24/h2H2,1H3
- InChI Key： PDJMXCGXMJPPQN-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=O)OCC)C(=C(C=1OC1C(=C(C(=C(C=1F)F)F)F)F)F)F)F
Computed Properties
- Exact Mass: 404.00945
- Monoisotopic Mass: 404.00949748g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 495
- 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: 4.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 4.90750
Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
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
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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