2-(5-azanyl-2-fluoranyl-phenyl)-3,3,3-tris(fluoranyl)propanoic acid

Systemtic Name: 2-(5-azanyl-2-fluoranyl-phenyl)-3,3,3-tris(fluoranyl)propanoic acid Openeye Name: 2-(5-amino-2-fluoro-phenyl)-3,3,3-trifluoro-propanoic acid CAS Name: 2-(5-amino-2-fluorophenyl)-3,3,3-trifluoropropanoic acid IUPAC Name: 2-(5-amino-2-fluorophenyl)-3,3,3-trifluoropropanoic acid Traditional Name: 2-(5-amino-2-fluoro-phenyl)-3,3,3-trifluoro-propionic acid Formula: C9H7F4NO2 MolecularWeight: 237.150993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(C(=O)O)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1N)C(C(=O)O)C(F)(F)F)F

InChI

InChI=1S/C9H7F4NO2/c10-6-2-1-4(14)3-5(6)7(8(15)16)9(11,12)13/h1-3,7H,14H2,(H,15,16)