[3,4-dimethyl-2-propoxycarbonyl-5-(trifluoromethyl)phenyl]boronic acid

Systemtic Name: [3,4-dimethyl-2-propoxycarbonyl-5-(trifluoromethyl)phenyl]boronic acid Openeye Name: [3,4-dimethyl-2-propoxycarbonyl-5-(trifluoromethyl)phenyl]boronic acid CAS Name: [3,4-dimethyl-2-[oxo(propoxy)methyl]-5-(trifluoromethyl)phenyl]boronic acid IUPAC Name: [3,4-dimethyl-2-propoxycarbonyl-5-(trifluoromethyl)phenyl]boronic acid Traditional Name: [3,4-dimethyl-2-propoxycarbonyl-5-(trifluoromethyl)phenyl]boronic acid Formula: C13H16BF3O4 MolecularWeight: 304.06995

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C(=C1C(=O)OCCC)C)C)C(F)(F)F)(O)O

Isomeric SMILES

B(C1=CC(=C(C(=C1C(=O)OCCC)C)C)C(F)(F)F)(O)O

InChI

InChI=1S/C13H16BF3O4/c1-4-5-21-12(18)11-8(3)7(2)9(13(15,16)17)6-10(11)14(19)20/h6,19-20H,4-5H2,1-3H3