256425-23-7
2-(([3-(ETHOXYCARBONYL)-4,5,6,7-TETRAFLUOROBENZO[B]FURAN-2-YL]METHYL)THIO)PYRIDINIUM-1-OLATE
Name2-(([3-(ETHOXYCARBONYL)-4,5,6,7-TETRAFLUOROBENZO[B]FURAN-2-YL]METHYL)THIO)PYRIDINIUM-1-OLATE
1Identification
【Name】
2-(([3-(ETHOXYCARBONYL)-4,5,6,7-TETRAFLUOROBENZO[B]FURAN-2-YL]METHYL)THIO)PYRIDINIUM-1-OLATE
【CAS】
【MDL】
MFCD00832767
【English Synonyms】
【Formula】
C17 H11 F4 N O4 S
【MolWeight】
401.335
【Inchi】
InChI=1S/C17H11F4NO4S/c1-2-25-17(23)10-8(7-27-9-5-3-4-6-22(9)24)26-16-11(10)12(18)13(19)14(20)15(16)21/h3-6H,2,7H2,1H3
【InChIKey】
InChIKey=NXWIXEOJLGTJGQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(oc2c1c(c(c(c2F)F)F)F)CSc3cccc[n+]3[O-]
【MOL File】
2-(([3-(ETHOXYCARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(([3-(ETHOXYCARBONYL)-4,5,6,7-TETRAFLUOROBENZO[B]FURAN-2-YL]METHYL)THIO)PYRIDINIUM-1-OLATE.cml