CAS
947533-58-6 Purity
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947533-58-6 Purity
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Specification
The molecular formula is C10H9F2IO3.
It was created on 2011-10-30.
The IUPAC name is ethyl 2,2-difluoro-2-(4-iodophenoxy)acetate.
The InChI is InChI=1S/C10H9F2IO3/c1-2-15-9(14)10(11,12)16-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3.
The molecular weight is 342.08 g/mol.
It has 5 hydrogen bond acceptors.
The XLogP3-AA value is 3.6.
The topological polar surface area is 35.5 Å2.
It has 5 rotatable bond counts.
Yes, it is a canonicalized compound.