937049-58-6 Purity
96%
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Specification
The molecular formula is C12H16ClNO3.
The molecular weight is 257.71 g/mol.
The IUPAC name is tert-butyl N-(4-chloro-2-methoxyphenyl)carbamate.
The InChI is InChI=1S/C12H16ClNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15).
The InChIKey is HMZLLBSZIVWLTD-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)OC.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 47.6 Å2.
Yes, it is a canonicalized compound.