Cas no 1803826-03-0 (5-Difluoromethyl-2-(trifluoromethyl)benzonitrile)
1803826-03-0 structure
Product Name:5-Difluoromethyl-2-(trifluoromethyl)benzonitrile
CAS No:1803826-03-0
MF:C9H4F5N
MW:221.126779556274
CID:4706007
Update Time:2023-08-15
5-Difluoromethyl-2-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-Difluoromethyl-2-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)5-1-2-7(9(12,13)14)6(3-5)4-15/h1-3,8H
- InChI Key： DIWMWLHBVHKUBU-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(F)F)=CC=1C#N)(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
5-Difluoromethyl-2-(trifluoromethyl)benzonitrile Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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