[3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid

Systemtic Name: [3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid Openeye Name: [3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid CAS Name: [3-(methylthio)-5-(trifluoromethyl)phenyl]boronic acid IUPAC Name: [3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid Traditional Name: [3-(methylthio)-5-(trifluoromethyl)phenyl]boronic acid Formula: C8H8BF3O2S MolecularWeight: 236.01913

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)SC)C(F)(F)F)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)SC)C(F)(F)F)(O)O

InChI

InChI=1S/C8H8BF3O2S/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3