898752-52-8
ETHYL 5-OXO-5-(3,4,5-TRIFLUOROPHENYL)VALERATE
NameETHYL 5-OXO-5-(3,4,5-TRIFLUOROPHENYL)VALERATE
1Identification
【Name】
ETHYL 5-OXO-5-(3,4,5-TRIFLUOROPHENYL)VALERATE
【CAS】
【MDL】
MFCD01320252
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H13 F3 O3
【pro_molWeight】
274.237
【Inchi】
InChI=1S/C13H13F3O3/c1-2-19-12(18)5-3-4-11(17)8-6-9(14)13(16)10(15)7-8/h6-7H,2-5H2,1H3
【InChIKey】
InChIKey=AIRZLGBDOJLRHG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCC(=O)c1cc(c(c(c1)F)F)F
【MOL File】
ETHYL 5-OXO-5-(3,4,5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 5-OXO-5-(3,4,5-TRIFLUOROPHENYL)VALERATE.cml