Cas no 1803792-09-7 (2-Difluoromethoxy-5-(trifluoromethoxy)benzonitrile)
1803792-09-7 structure
Product Name:2-Difluoromethoxy-5-(trifluoromethoxy)benzonitrile
CAS No:1803792-09-7
MF:C9H4F5NO2
MW:253.125579833984
CID:4705834
Update Time:2023-08-15
2-Difluoromethoxy-5-(trifluoromethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Difluoromethoxy-5-(trifluoromethoxy)benzonitrile
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- Inchi： 1S/C9H4F5NO2/c10-8(11)16-7-2-1-6(3-5(7)4-15)17-9(12,13)14/h1-3,8H
- InChI Key： XSMSHPOPEGVLMB-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(=C(C#N)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
2-Difluoromethoxy-5-(trifluoromethoxy)benzonitrile Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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