CAS
5905-69-1 Purity
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5905-69-1 Purity
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Specification
PubChem CID 4067207
The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC name is 1-(bromomethyl)-3-methoxybenzene.
The InChI is InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3.
The InChIKey is ZKSOJQDNSNJIQW-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC=CC(=C1)CBr.
The CAS number is 874-98-6.
The XLogP3 value is 2.6.
Yes, it is canonicalized according to PubChem.