898752-49-3
ETHYL 4-OXO-4-(3,4,5-TRIFLUOROPHENYL)BUTYRATE
NameETHYL 4-OXO-4-(3,4,5-TRIFLUOROPHENYL)BUTYRATE
1Identification
【Name】
ETHYL 4-OXO-4-(3,4,5-TRIFLUOROPHENYL)BUTYRATE
【CAS】
【MDL】
MFCD01320251
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H11 F3 O3
【pro_molWeight】
260.21
【Inchi】
InChI=1S/C12H11F3O3/c1-2-18-11(17)4-3-10(16)7-5-8(13)12(15)9(14)6-7/h5-6H,2-4H2,1H3
【InChIKey】
InChIKey=DFHQXXBFZFLIPE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1cc(c(c(c1)F)F)F
【MOL File】
ETHYL 4-OXO-4-(3,4,5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 4-OXO-4-(3,4,5-TRIFLUOROPHENYL)BUTYRATE.cml