Cas no 1806289-23-5 (2-Difluoromethyl-4-(trifluoromethyl)benzonitrile)
1806289-23-5 structure
Product Name:2-Difluoromethyl-4-(trifluoromethyl)benzonitrile
CAS No:1806289-23-5
MF:C9H4F5N
MW:221.126779556274
CID:4707183
Update Time:2023-08-15
2-Difluoromethyl-4-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Difluoromethyl-4-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)7-3-6(9(12,13)14)2-1-5(7)4-15/h1-3,8H
- InChI Key： CWDNICHSLJHKQS-UHFFFAOYSA-N
- SMILES： FC(C1=CC=C(C#N)C(C(F)F)=C1)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 263
- Topological Polar Surface Area: 23.8
2-Difluoromethyl-4-(trifluoromethyl)benzonitrile Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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