Cas no 1804515-87-4 (3-Difluoromethyl-2-(trifluoromethyl)benzonitrile)
1804515-87-4 structure
Product Name:3-Difluoromethyl-2-(trifluoromethyl)benzonitrile
CAS No:1804515-87-4
MF:C9H4F5N
MW:221.126779556274
CID:4706340
Update Time:2023-08-15
3-Difluoromethyl-2-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Difluoromethyl-2-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)6-3-1-2-5(4-15)7(6)9(12,13)14/h1-3,8H
- InChI Key： RSAWMMVCQUNGQR-UHFFFAOYSA-N
- SMILES： FC(C1C(C#N)=CC=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-2-(trifluoromethyl)benzonitrile Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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