Cas no 1227603-86-2 (Ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate)
1227603-86-2 structure
Product Name:Ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate
CAS No:1227603-86-2
MF:C9H7F4NO2
MW:237.150996446609
CID:4689453
Update Time:2023-08-15
Ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate Chemical and Physical Properties
Names and Identifiers
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- ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate
- KJTRFDNCGFQIBL-UHFFFAOYSA-N
- Ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate
-
- Inchi： 1S/C9H7F4NO2/c1-2-16-8(15)5-3-4-14-7(6(5)10)9(11,12)13/h3-4H,2H2,1H3
- InChI Key： KJTRFDNCGFQIBL-UHFFFAOYSA-N
- SMILES： FC1C(C(F)(F)F)=NC=CC=1C(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 256
- Topological Polar Surface Area: 39.2
Ethyl 3-fluoro-2-(trifluoromethyl)isonicotinate Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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