935660-81-4 Purity
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Specification
The molecular formula is C7H9BO4S.
The molecular weight is 200.02 g/mol.
The IUPAC name is (3-methylsulfonylphenyl)boronic acid.
The InChI is InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3.
The InChIKey is HZFFUMBZBGETES-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O.
The CAS number is 373384-18-0.
The EC number is 690-414-3.
Yes, it is a canonicalized compound.
Reference: [1]Patent: WO2008/73785,2008,A2 .Location in patent: Page/Page column 205-206
* For details of the synthesis route, please refer to the original source to ensure accuracy.