898793-03-8
ETHYL 8-(3,5-DITRIFLUOROMETHYLPHENYL)-8-OXOOCTANOATE
NameETHYL 8-(3,5-DITRIFLUOROMETHYLPHENYL)-8-OXOOCTANOATE
1Identification
【Name】
ETHYL 8-(3,5-DITRIFLUOROMETHYLPHENYL)-8-OXOOCTANOATE
【CAS】
【MDL】
MFCD01320193
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 F6 O3
【pro_molWeight】
398.341
【Inchi】
InChI=1S/C18H20F6O3/c1-2-27-16(26)8-6-4-3-5-7-15(25)12-9-13(17(19,20)21)11-14(10-12)18(22,23)24/h9-11H,2-8H2,1H3
【InChIKey】
InChIKey=ICLFRKXQUBFXJH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
【MOL File】
ETHYL 8-(3,5-DITRIFL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 8-(3,5-DITRIFLUOROMETHYLPHENYL)-8-OXOOCTANOATE.cml