1188209-76-8
5-(2-CHLORO-4-FLUOROPHENYL)-3-[2-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
Name5-(2-CHLORO-4-FLUOROPHENYL)-3-[2-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
pro_formulaC19 H12 Cl F4 N O3
1Identification
【Name】
5-(2-CHLORO-4-FLUOROPHENYL)-3-[2-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17184879
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H12 Cl F4 N O3
【pro_molWeight】
413.753
【Inchi】
InChI=1S/C19H12ClF4NO3/c1-2-27-18(26)15-16(11-5-3-4-6-13(11)19(22,23)24)25-28-17(15)12-8-7-10(21)9-14(12)20/h3-9H,2H2,1H3
【InChIKey】
InChIKey=KGEVSSHTNIOARF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(noc1c2ccc(cc2Cl)F)c3ccccc3C(F)(F)F
【MOL File】
5-(2-CHLORO-4-FLUORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(2-CHLORO-4-FLUOROPHENYL)-3-[2-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER.cml