CAS
91945-53-8 Purity
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91945-53-8 Purity
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Specification
The molecular formula is C10H9F4NO2.
The molecular weight is 251.18 g/mol.
The IUPAC name is 3,3,3-trifluoro-N-(3-fluoro-4-methoxyphenyl)propanamide.
The InChI is InChI=1S/C10H9F4NO2/c1-17-8-3-2-6(4-7(8)11)15-9(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
The InChIKey is WKSIETTVFSZWKP-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
It has 6 hydrogen bond acceptor counts.
The topological polar surface area is 38.3 Ų.
Yes, it is considered canonicalized.
It has 3 rotatable bond counts.