Cas no 1806370-21-7 (3-Difluoromethyl-4-(trifluoromethyl)benzonitrile)
1806370-21-7 structure
Product Name:3-Difluoromethyl-4-(trifluoromethyl)benzonitrile
CAS No:1806370-21-7
MF:C9H4F5N
MW:221.126779556274
CID:4707699
Update Time:2023-08-15
3-Difluoromethyl-4-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Difluoromethyl-4-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)6-3-5(4-15)1-2-7(6)9(12,13)14/h1-3,8H
- InChI Key： CGDPDOPMAJRTTO-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C#N)=CC=1C(F)F)(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-4-(trifluoromethyl)benzonitrile Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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