1188205-99-3
5-(3,5-DICHLOROPHENYL)-3-(3,4,5-TRIFLUOROPHENYL)-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
Name5-(3,5-DICHLOROPHENYL)-3-(3,4,5-TRIFLUOROPHENYL)-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
pro_formulaC18 H10 Cl2 F3 N O3
1Identification
【Name】
5-(3,5-DICHLOROPHENYL)-3-(3,4,5-TRIFLUOROPHENYL)-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17184166
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H10 Cl2 F3 N O3
【pro_molWeight】
416.181
【Inchi】
InChI=1S/C18H10Cl2F3NO3/c1-2-26-18(25)14-16(8-5-12(21)15(23)13(22)6-8)24-27-17(14)9-3-10(19)7-11(20)4-9/h3-7H,2H2,1H3
【InChIKey】
InChIKey=GQEIQXBEYPZGHM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(noc1c2cc(cc(c2)Cl)Cl)c3cc(c(c(c3)F)F)F
【MOL File】
5-(3,5-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(3,5-DICHLOROPHENYL)-3-(3,4,5-TRIFLUOROPHENYL)-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER.cml