937661-89-7 Purity
96%
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Specification
The molecular formula of the compound is C12H16ClNO.
The compound was created on 2007-07-30 and last modified on 2023-12-30.
The IUPAC name of the compound is 4-[[2-(chloromethyl)phenyl]methyl]morpholine.
The InChI of the compound is InChI=1S/C12H16ClNO/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-10H2.
The InChIKey of the compound is ATNXOBPRQIUNCQ-UHFFFAOYSA-N.
The Canonical SMILES of the compound is C1COCCN1CC2=CC=CC=C2CCl.
The molecular weight of the compound is 225.71 g/mol.
The compound has 2 hydrogen bond acceptor counts.
The topological polar surface area of the compound is 12.5 Ų.
Yes, the compound is canonicalized.