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3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethylthio)-5,5-dimethyl-2-isoxazoline
3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]-5,5-dimethyl-4H-1,2-oxazole · 3-(((5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)thio)-5,5-dimethyl-4,5-dihydroisoxazole · 3-[(5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylthio]-4,5-dihydro-5,5-dimethyl-1,2-isoxazole · 656825-92-2 · Pyroxasulfone Impurity 7 · 3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl- 1H-pyrazole-4-ylmethyIthio)-5,5-dimethyl-2- isoxazoline · 3-[(5-difluoromethoxy-1-methyl-3-trifluoromethylpyrazol-4-yl)-methylthio]-4,5-dihydro-5.5-dimethyl-1,2-isoxazole · 3-[[[5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H- pyrazol-4-yl]methyl]thio]-4,5-dihydro-5,5-dimethylisoxazole
Identifikatoren & physikalische Daten
| CAS No. | 656825-92-2 |
|---|---|
| Summenformel | C12H14F5N3O2S |
| Durchschnittliche Molmasse | 359,32 g/mol |
| Monoisotopische Masse | 359,07268879 g/mol |
| SMILES | Cn1nc(C(F)(F)F)c(CSC2=NOC(C)(C)C2)c1OC(F)F |
| InChIKey | ARJPLYZBOHQOCK-UHFFFAOYSA-N |
| PubChem CID | 11617426 |
| DTXSID | DTXSID20469539 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 460 |
| Siedepunkt | 359.6±52.0 °C(Predicted) |
| Dichte | 1.50±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | -2.25±0.10(Predicted) |
| InChI | InChI=1S/C12H14F5N3O2S/c1-11(2)4-7(19-22-11)23-5-6-8(12(15,16)17)18-20(3)9(6)21-10(13)14/h10H,4-5H2,1-3H3 |
| InChIKey | ARJPLYZBOHQOCK-UHFFFAOYSA-N |
| SMILES | O1C(C)(C)CC(SCC2=C(OC(F)F)N(C)N=C2C(F)(F)F)=N1 |