Cas no 1803828-45-6 (3,5-Difluoro-2-(trifluoromethoxy)benzonitrile)
1803828-45-6 structure
Product Name:3,5-Difluoro-2-(trifluoromethoxy)benzonitrile
CAS No:1803828-45-6
MF:C8H2F5NO
MW:223.09959936142
CID:4706029
Update Time:2023-08-15
3,5-Difluoro-2-(trifluoromethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3,5-Difluoro-2-(trifluoromethoxy)benzonitrile
-
- Inchi： 1S/C8H2F5NO/c9-5-1-4(3-14)7(6(10)2-5)15-8(11,12)13/h1-2H
- InChI Key： LTEBTAWWFNYAFQ-UHFFFAOYSA-N
- SMILES： FC1=CC(=CC(C#N)=C1OC(F)(F)F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 270
- Topological Polar Surface Area: 33
3,5-Difluoro-2-(trifluoromethoxy)benzonitrile Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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