Cas no 1803790-03-5 (Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate)
1803790-03-5 structure
Product Name:Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate
CAS No:1803790-03-5
MF:C11H7F4NO2
MW:261.17239689827
CID:4795118
Update Time:2025-07-28
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate
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- Inchi： 1S/C11H7F4NO2/c1-2-18-10(17)8-7(12)4-3-6(5-16)9(8)11(13,14)15/h3-4H,2H2,1H3
- InChI Key： PNACGVQUWOJIKL-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C#N)C(C(F)(F)F)=C1C(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 360
- XLogP3: 2.8
- Topological Polar Surface Area: 50.1
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015007287-250mg |
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate |
1803790-03-5 | 97% | 250mg |
499.20 USD | 2021-05-31 | |
| Alichem | A015007287-500mg |
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate |
1803790-03-5 | 97% | 500mg |
782.40 USD | 2021-05-31 | |
| Alichem | A015007287-1g |
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate |
1803790-03-5 | 97% | 1g |
1,564.50 USD | 2021-05-31 |
Ethyl 3-cyano-6-fluoro-2-(trifluoromethyl)benzoate Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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