1188203-24-8
5-(5-BROMO-2-FLUOROPHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
Name5-(5-BROMO-2-FLUOROPHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
pro_formulaC19 H12 Br F4 N O3
1Identification
【Name】
5-(5-BROMO-2-FLUOROPHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17185072
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H12 Br F4 N O3
【pro_molWeight】
458.204
【Inchi】
InChI=1S/C19H12BrF4NO3/c1-2-27-18(26)15-16(10-4-3-5-11(8-10)19(22,23)24)25-28-17(15)13-9-12(20)6-7-14(13)21/h3-9H,2H2,1H3
【InChIKey】
InChIKey=BXYIIHXDROWVAC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(noc1c2cc(ccc2F)Br)c3cccc(c3)C(F)(F)F
【MOL File】
5-(5-BROMO-2-FLUOROP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(5-BROMO-2-FLUOROPHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER.cml