[3-fluoranyl-5-(phenylmethoxycarbonylamino)phenyl]boronic acid

Systemtic Name: [3-fluoranyl-5-(phenylmethoxycarbonylamino)phenyl]boronic acid Openeye Name: [3-(benzyloxycarbonylamino)-5-fluoro-phenyl]boronic acid CAS Name: [3-fluoro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid IUPAC Name: [3-fluoro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid Traditional Name: [3-(benzyloxycarbonylamino)-5-fluoro-phenyl]boronic acid Formula: C14H13BFNO4 MolecularWeight: 289.066723

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)F)NC(=O)OCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)F)NC(=O)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H13BFNO4/c16-12-6-11(15(19)20)7-13(8-12)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)