946409-25-2 Purity
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Specification
The molecular formula is C15H10F5N3O2.
The molecular weight is 359.25 g/mol.
The IUPAC name is (2,3,4,5,6-pentafluorophenyl) 2-pyrrolidin-1-ylpyrimidine-5-carboxylate.
The InChI is InChI=1S/C15H10F5N3O2/c16-8-9(17)11(19)13(12(20)10(8)18)25-14(24)7-5-21-15(22-6-7)23-3-1-2-4-23/h5-6H,1-4H2.
The InChIKey is YXDSLCBLWCPTJQ-UHFFFAOYSA-N.
It has 10 hydrogen bond acceptors.
The XLogP3-AA value is 3.1.
The topological polar surface area is 55.3 Ų.
There are 25 heavy atoms.
Yes, the compound is canonicalized.