898792-91-1
ETHYL 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRATE
NameETHYL 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRATE
1Identification
【Name】
ETHYL 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRATE
【CAS】
【MDL】
MFCD01311605
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H12 F6 O3
【pro_molWeight】
342.234
【Inchi】
InChI=1S/C14H12F6O3/c1-2-23-12(22)4-3-11(21)8-5-9(13(15,16)17)7-10(6-8)14(18,19)20/h5-7H,2-4H2,1H3
【InChIKey】
InChIKey=DCTDVDJDNQPXFQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
【MOL File】
ETHYL 4-(3,5-DITRIFL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRATE.cml