CAS
16156-50-6 Purity
99%+
16156-50-6 Purity
99%+
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Specification
The molecular formula is C9H11BrO2.
It was created on February 9, 2007, and last modified on December 30, 2023.
The IUPAC name is 1-(bromomethyl)-2,4-dimethoxybenzene.
The InChIKey is WZCFNCRZGRZNRV-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC(=C(C=C1)CBr)OC.
The XLogP3 value is 3.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 18.5 Ǻ².
There are 12 heavy atoms in the structure.
Yes, the compound is canonicalized in PubChem.