Cas no 108655-61-4 (4-Isoxazolecarboxylicacid, 5-amino-3-(trifluoromethyl)-, methyl ester)
108655-61-4 structure
Product Name:4-Isoxazolecarboxylicacid, 5-amino-3-(trifluoromethyl)-, methyl ester
CAS No:108655-61-4
MF:C6H5F3N2O3
MW:210.110711812973
CID:128099
PubChem ID:10584549
Update Time:2025-04-18
4-Isoxazolecarboxylicacid, 5-amino-3-(trifluoromethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 5-amino-3-(trifluoromethyl)-, methyl ester
- 4-Isoxazolecarboxylicacid,5-amino-3-(trifluoromethyl)-,methylester(9CI)
- methyl 5-amino-3-(trifluoromethyl)isoxazole-4-carboxylate
- 5-amino-4-methoxycarbonyl-3-trifluoromethylisoxazole
- SCHEMBL4757756
- 108655-61-4
- Methyl 5-amino-3-(trifluoromethyl)-1,2-oxazole-4-carboxylate
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- Inchi： 1S/C6H5F3N2O3/c1-13-5(12)2-3(6(7,8)9)11-14-4(2)10/h10H2,1H3
- InChI Key： JTLMTRFNPHRSRB-UHFFFAOYSA-N
- SMILES： FC(C1C(C(=O)OC)=C(N)ON=1)(F)F
Computed Properties
- Exact Mass: 210.02522651g/mol
- Monoisotopic Mass: 210.02522651g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 78.4?2
4-Isoxazolecarboxylicacid, 5-amino-3-(trifluoromethyl)-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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