Cas no 1803832-70-3 (4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile)
1803832-70-3 structure
Product Name:4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile
CAS No:1803832-70-3
MF:C9H4F5NO2
MW:253.125579833984
CID:4706054
Update Time:2023-08-15
4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile
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- Inchi: 1S/C9H4F5NO2/c10-8(11)16-6-2-1-5(4-15)7(3-6)17-9(12,13)14/h1-3,8H
- InChI Key: TULSKQROKLOVNR-UHFFFAOYSA-N
- SMILES: FC(OC1C(C#N)=CC=C(C=1)OC(F)F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 298
- Topological Polar Surface Area: 42.2
4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile Related Literature
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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