90965-59-6 Purity
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Specification
The molecular weight is 427.8 g/mol.
The IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one.
There are 0 hydrogen bond donor counts.
The topological polar surface area is 45.7 Å2.
There are 6 rotatable bond counts.
Yes, the compound is canonicalized.
The InChIKey is CAFDZUJKPBOQIG-UHFFFAOYSA-N.
There are 7 hydrogen bond acceptor counts.
The exact mass is 427.1274391 g/mol.
There are 29 heavy atoms.
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