[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid

Systemtic Name: [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid Openeye Name: [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid CAS Name: [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid IUPAC Name: [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid Traditional Name: [4-mesyl-2-(trifluoromethyl)phenyl]boronic acid Formula: C8H8BF3O4S MolecularWeight: 268.01793

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F)(O)O

Isomeric SMILES

B(C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F)(O)O

InChI

InChI=1S/C8H8BF3O4S/c1-17(15,16)5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3