CAS
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Specification
The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC name is 1-bromo-2-(methoxymethyl)benzene.
The InChI is InChI=1S/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
The InChIKey is QFAZLCRHLRJNAW-UHFFFAOYSA-N.
The Canonical SMILES is COCC1=CC=CC=C1Br.
The CAS number is 52711-30-5.
It has 0 hydrogen bond donor counts.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.