38916-42-6 Purity
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Specification
The molecular formula is C18H14F6FeP-.
The synonyms are Cyclopentadienyl(fluorene)iron hexafluorophosphate and 38959-35-2.
The molecular weight is 431.1 g/mol.
The structure can be viewed at the provided link.
The InChI is "InChI=1S/C13H9.C5H5.F6P.Fe/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-9H;1-5H;;/q;;-1;"
The InChIKey is "GRBNYBMVHKVOAY-UHFFFAOYSA-N."
The Canonical SMILES is "C1=C[C]2[CH][C]3C=CC=C[C]3[C]2C=C1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe]"
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 7.
Yes, it is a canonicalized compound.