944450-77-5
PENTAFLUOROPHENYL ISOQUINOLINE-4-CARBOXYLATE
NamePENTAFLUOROPHENYL ISOQUINOLINE-4-CARBOXYLATE
pro_formulaC16 H6 F5 N O2
1Identification
【Name】
PENTAFLUOROPHENYL ISOQUINOLINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD09879898
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H6 F5 N O2
【pro_molWeight】
339.218
【Inchi】
InChI=1S/C16H6F5NO2/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)9-6-22-5-7-3-1-2-4-8(7)9/h1-6H
【InChIKey】
InChIKey=DEILZUOGNADSGO-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cncc2C(=O)Oc3c(c(c(c(c3F)F)F)F)F
【MOL File】
PENTAFLUOROPHENYL IS….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
PENTAFLUOROPHENYL ISOQUINOLINE-4-CARBOXYLATE.cml