902836-68-4 Purity
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The molecular formula is C16H22ClNO3.
The molecular weight is 311.80 g/mol.
Some synonyms include tert-butyl 2-(4-chlorophenyl)-2-methylmorpholine-4-carboxylate and DTXSID20400604.
The IUPAC name is tert-butyl 2-(4-chlorophenyl)-2-methylmorpholine-4-carboxylate.
The InChI is InChI=1S/C16H22ClNO3/c1-15(2,3)21-14(19)18-9-10-20-16(4,11-18)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3.
The InChIKey is GFOKOPAQAGLVHF-UHFFFAOYSA-N.
The Canonical SMILES is CC1(CN(CCO1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl.
It has 3 hydrogen bond acceptor counts.
The XLogP3-AA value is 3.1.
Yes, it is a canonicalized compound according to PubChem.