4-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-6-fluoranyl-phenyl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(2-chloro-6-fluoro-phenyl)methylamino]methyl]benzoic acid CAS Name: 4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(2-chloro-6-fluoro-benzyl)amino]methyl]benzoic acid Formula: C15H13ClFNO2 MolecularWeight: 293.720623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CNCC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CNCC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C15H13ClFNO2/c16-13-2-1-3-14(17)12(13)9-18-8-10-4-6-11(7-5-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)