122115-59-7
ETHYL 7-OXO-7-(3-TRIFLUOROMETHYLPHENYL)HEPTANOATE
NameETHYL 7-OXO-7-(3-TRIFLUOROMETHYLPHENYL)HEPTANOATE
1Identification
【Name】
ETHYL 7-OXO-7-(3-TRIFLUOROMETHYLPHENYL)HEPTANOATE
【CAS】
【MDL】
MFCD02261347
【English Synonyms】
【Formula】
C16 H19 F3 O3
【MolWeight】
316.317
【Inchi】
InChI=1S/C16H19F3O3/c1-2-22-15(21)10-5-3-4-9-14(20)12-7-6-8-13(11-12)16(17,18)19/h6-8,11H,2-5,9-10H2,1H3
【InChIKey】
InChIKey=RICAXFIYDCACCQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCC(=O)c1cccc(c1)C(F)(F)F
【MOL File】
ETHYL 7-OXO-7-(3-TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 7-OXO-7-(3-TRIFLUOROMETHYLPHENYL)HEPTANOATE.cml