3-[1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(3-chloro-4-fluoro-phenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(3-chloro-4-fluoro-phenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C15H9ClFN3O2 MolecularWeight: 317.702263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H9ClFN3O2/c16-12-7-11(4-5-13(12)17)20-8-18-14(19-20)9-2-1-3-10(6-9)15(21)22/h1-8H,(H,21,22)