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The molecular formula is C8H9BrO2S.
The molecular weight is 249.13 g/mol.
The IUPAC name is 1-(bromomethyl)-4-methylsulfonylbenzene.
The InChI is InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3.
The InChIKey is HGKPAXHJTMHWAH-UHFFFAOYSA-N.
The canonical SMILES is CS(=O)(=O)C1=CC=C(C=C1)CBr.
The CAS number is 53606-06-7.
The EC number is 679-455-8.
The XLogP3-AA value is 1.7.
Yes, 4-(Methylsulfonyl)benzyl Bromide is canonicalized.
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