898777-79-2
ETHYL 8-OXO-8-(3-TRIFLUOROMETHYLPHENYL)OCTANOATE
NameETHYL 8-OXO-8-(3-TRIFLUOROMETHYLPHENYL)OCTANOATE
1Identification
【Name】
ETHYL 8-OXO-8-(3-TRIFLUOROMETHYLPHENYL)OCTANOATE
【CAS】
【MDL】
MFCD02261348
【English Synonyms】
【Formula】
C17 H21 F3 O3
【MolWeight】
330.344
【Inchi】
InChI=1S/C17H21F3O3/c1-2-23-16(22)11-6-4-3-5-10-15(21)13-8-7-9-14(12-13)17(18,19)20/h7-9,12H,2-6,10-11H2,1H3
【InChIKey】
InChIKey=CGUPIRGEDYNVJF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCCC(=O)c1cccc(c1)C(F)(F)F
【MOL File】
ETHYL 8-OXO-8-(3-TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 8-OXO-8-(3-TRIFLUOROMETHYLPHENYL)OCTANOATE.cml