[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid

Systemtic Name: [3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid Openeye Name: [3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid CAS Name: [3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid IUPAC Name: [3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid Traditional Name: [3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]boronic acid Formula: C13H9BF3NO5 MolecularWeight: 327.02047

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(O)O

InChI

InChI=1S/C13H9BF3NO5/c15-13(16,17)8-4-5-12(11(6-8)18(21)22)23-10-3-1-2-9(7-10)14(19)20/h1-7,19-20H