CAS
936-16-3 Purity
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936-16-3 Purity
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Specification
The molecular formula is C11H9F3O3.
The molecular weight is 246.18 g/mol.
The IUPAC name is methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate.
The CAS number is 93618-66-7.
The InChI is InChI=1S/C11H9F3O3/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3.
The InChIKey is RPRMYRPHNDGZOY-UHFFFAOYSA-N.
The XLogP3-AA value is 2.5.
There are 0 hydrogen bond donor counts.
There are 6 hydrogen bond acceptor counts.
There are 4 rotatable bond counts.