13657-16-4 Purity
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Specification
The IUPAC name of the compound is 1-bromo-4-(methoxymethyl)benzene.
The molecular formula of the compound is C8H9BrO.
The molecular weight of the compound is 201.06 g/mol.
The CAS number of the compound is 1515-88-4.
The InChI key of the compound is JIMMXGXOJQXOQA-UHFFFAOYSA-N.
The canonical SMILES of the compound is COCC1=CC=C(C=C1)Br.
The XLogP3-AA value of the compound is 2.3.
The compound has 0 hydrogen bond donor count.
The compound has 2 rotatable bond counts.
Yes, the compound is canonicalized according to PubChem.