Cas no 334971-36-7 (4-Isoxazolecarboxylicacid, 3-(2,6-difluorophenyl)-5-methyl-, methyl ester)
334971-36-7 structure
Product Name:4-Isoxazolecarboxylicacid, 3-(2,6-difluorophenyl)-5-methyl-, methyl ester
CAS No:334971-36-7
MF:C12H9F2NO3
MW:253.201570272446
CID:301884
PubChem ID:18756257
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-(2,6-difluorophenyl)-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-(2,6-difluorophenyl)-5-methyl-, methyl ester
- 4-Isoxazolecarboxylicacid,3-(2,6-difluorophenyl)-5-methyl-,methylester(9CI)
- GDXXZGNNVCLIBP-UHFFFAOYSA-N
- Methyl 3-(2,6-difluorophenyl)-5-methylisoxazole-4-carboxylate
- 4-methoxycarbonyl-5-methyl-3-(2,6-difluorophenyl)isoxazole
- SY332078
- 334971-36-7
- SCHEMBL5775105
- MFCD22370415
-
- Inchi： 1S/C12H9F2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3
- InChI Key： GDXXZGNNVCLIBP-UHFFFAOYSA-N
- SMILES： FC1C=CC=C(C=1C1C(C(=O)OC)=C(C)ON=1)F
Computed Properties
- Exact Mass: 253.055
- Monoisotopic Mass: 253.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 306
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 2.5
4-Isoxazolecarboxylicacid, 3-(2,6-difluorophenyl)-5-methyl-, methyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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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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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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