3-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylamino]benzoic acid CAS Name: 3-[(2-chloro-6-fluorophenyl)methylamino]benzoic acid IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylamino]benzoic acid Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)amino]benzoic acid Formula: C14H11ClFNO2 MolecularWeight: 279.694043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C14H11ClFNO2/c15-12-5-2-6-13(16)11(12)8-17-10-4-1-3-9(7-10)14(18)19/h1-7,17H,8H2,(H,18,19)