Cas no 153863-36-6 (1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-phenyl-, ethyl ester)
153863-36-6 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-phenyl-, ethyl ester
CAS No:153863-36-6
MF:C18H15FN2O2
MW:310.322307825089
CID:1328410
Update Time:2024-08-18
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-phenyl-, ethyl ester
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- Inchi： 1S/C18H15FN2O2/c1-2-23-18(22)16-12-20-21(15-10-8-14(19)9-11-15)17(16)13-6-4-3-5-7-13/h3-12H,2H2,1H3
- InChI Key： MDIUDNOZMJIYGJ-UHFFFAOYSA-N
- SMILES： N1(C2=CC=C(F)C=C2)C(C2=CC=CC=C2)=C(C(OCC)=O)C=N1
Computed Properties
- Exact Mass: 310.11185
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Boiling Point: 458.3±40.0 °C(Predicted)
- PSA: 44.12
- pka: -2.83±0.10(Predicted)
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-phenyl-, ethyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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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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