Cas no 1804515-80-7 (2-Difluoromethyl-6-(trifluoromethyl)benzonitrile)
1804515-80-7 structure
Product Name:2-Difluoromethyl-6-(trifluoromethyl)benzonitrile
CAS No:1804515-80-7
MF:C9H4F5N
MW:221.126779556274
CID:4706337
Update Time:2023-08-15
2-Difluoromethyl-6-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Difluoromethyl-6-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)5-2-1-3-7(6(5)4-15)9(12,13)14/h1-3,8H
- InChI Key： MZTKLQGHAMJRBH-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C(F)F)C=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
2-Difluoromethyl-6-(trifluoromethyl)benzonitrile Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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