3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-fluoro-phenyl)methylamino]benzoic acid CAS Name: 3-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid IUPAC Name: 3-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-fluoro-benzyl)amino]benzoic acid Formula: C14H11BrFNO2 MolecularWeight: 324.145043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)F)C(=O)O

InChI

InChI=1S/C14H11BrFNO2/c15-11-4-5-13(16)10(6-11)8-17-12-3-1-2-9(7-12)14(18)19/h1-7,17H,8H2,(H,18,19)