886762-33-0
METHYL 4-[(4,6-BIS(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-2-YL)METHOXYL]BENZOATE
NameMETHYL 4-[(4,6-BIS(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-2-YL)METHOXYL]BENZOATE
1Identification
【Name】
METHYL 4-[(4,6-BIS(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-2-YL)METHOXYL]BENZOATE
【CAS】
【MDL】
MFCD04039220
【English Synonyms】
【Formula】
C17 H14 F6 N2 O5
【MolWeight】
440.295
【Inchi】
InChI=1S/C17H14F6N2O5/c1-27-15(26)10-2-4-11(5-3-10)28-7-12-24-13(29-8-16(18,19)20)6-14(25-12)30-9-17(21,22)23/h2-6H,7-9H2,1H3
【InChIKey】
InChIKey=HRRLEWDNXZBWQC-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(cc1)OCc2nc(cc(n2)OCC(F)(F)F)OCC(F)(F)F
【MOL File】
METHYL 4-[(4,6-BIS(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-[(4,6-BIS(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-2-YL)METHOXYL]BENZOATE.cml