Cas no 657424-89-0 (3-Isoxazolecarboxylic acid, 5-(2-fluoro-5-methylphenyl)-, methyl ester)
657424-89-0 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(2-fluoro-5-methylphenyl)-, methyl ester
CAS No:657424-89-0
MF:C12H10FNO3
MW:235.211106777191
CID:1693285
Update Time:2024-09-02
3-Isoxazolecarboxylic acid, 5-(2-fluoro-5-methylphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolecarboxylic acid, 5-(2-fluoro-5-methylphenyl)-, methyl ester
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- Inchi： 1S/C12H10FNO3/c1-7-3-4-9(13)8(5-7)11-6-10(14-17-11)12(15)16-2/h3-6H,1-2H3
- InChI Key： RABRSXCOXPUJMJ-UHFFFAOYSA-N
- SMILES： O1C(C2=CC(C)=CC=C2F)=CC(C(OC)=O)=N1
Computed Properties
- Exact Mass: 235.0645
Experimental Properties
- Density: 1.243±0.06 g/cm3(Predicted)
- Boiling Point: 364.0±42.0 °C(Predicted)
- PSA: 52.33
- pka: -6.38±0.38(Predicted)
3-Isoxazolecarboxylic acid, 5-(2-fluoro-5-methylphenyl)-, methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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