1188080-67-2
3-(4-PHENOXYPHENYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
Name3-(4-PHENOXYPHENYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-(4-PHENOXYPHENYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17182327
【English Synonyms】
【Formula】
C25 H18 F3 N O4
【MolWeight】
453.414
【Inchi】
InChI=1S/C25H18F3NO4/c1-2-31-24(30)21-22(16-11-13-20(14-12-16)32-19-9-4-3-5-10-19)29-33-23(21)17-7-6-8-18(15-17)25(26,27)28/h3-15H,2H2,1H3
【InChIKey】
InChIKey=ZPGNIQPJZDTLKZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(noc1c2cccc(c2)C(F)(F)F)c3ccc(cc3)Oc4ccccc4
【MOL File】
3-(4-PHENOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-PHENOXYPHENYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER.cml