Cas no 104599-78-2 (Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI))
![Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI) structure](https://ossimg.kuujia.com/scimg/105000/104599-78-2x500.png)
104599-78-2 structure
Product Name:Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI)
CAS No:104599-78-2
MF:C15H14Cl2FNO3
MW:346.180965900421
CID:6635506
Update Time:2024-01-16
Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI)
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- Inchi： 1S/C15H14Cl2FNO3/c1-2-22-15(21)10(7-19-8-3-4-8)14(20)9-5-13(18)12(17)6-11(9)16/h5-8,19H,2-4H2,1H3/b10-7+
- InChI Key： UYJWKMILOGUYTL-JXMROGBWSA-N
- SMILES： C1(C(=O)/C(=C\NC2CC2)/C(OCC)=O)=CC(F)=C(Cl)C=C1Cl
Experimental Properties
- Density: 1.40±0.1 g/cm3(Predicted)
- Boiling Point: 477.9±45.0 °C(Predicted)
- pka: 2.72±0.70(Predicted)
Benzenepropanoic acid, 2,4-dichloro-α-[(cyclopropylamino)methylene]-5-fluoro-β-oxo-, ethyl ester, (E)- (9CI) Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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