Cas no 1806312-82-2 (2-Difluoromethyl-3-(trifluoromethyl)benzonitrile)
1806312-82-2 structure
Product Name:2-Difluoromethyl-3-(trifluoromethyl)benzonitrile
CAS No:1806312-82-2
MF:C9H4F5N
MW:221.126779556274
CID:4707353
Update Time:2023-08-15
2-Difluoromethyl-3-(trifluoromethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Difluoromethyl-3-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H4F5N/c10-8(11)7-5(4-15)2-1-3-6(7)9(12,13)14/h1-3,8H
- InChI Key： LIAFAHPNUAKGQZ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C#N)C=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
2-Difluoromethyl-3-(trifluoromethyl)benzonitrile Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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