Cas no 1803825-95-7 (3-Difluoromethyl-5-(trifluoromethyl)benzonitrile)
1803825-95-7 structure
Product Name:3-Difluoromethyl-5-(trifluoromethyl)benzonitrile
CAS No:1803825-95-7
MF:C9H4F5N
MW:221.126779556274
CID:4706006
Update Time:2023-08-15
3-Difluoromethyl-5-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Difluoromethyl-5-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)6-1-5(4-15)2-7(3-6)9(12,13)14/h1-3,8H
- InChI Key： XJINVMYPCVINSL-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C#N)C=C(C(F)F)C=1)(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
3-Difluoromethyl-5-(trifluoromethyl)benzonitrile Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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