4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid

Systemtic Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid Openeye Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid CAS Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid IUPAC Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid Traditional Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid Formula: C10H6F3N3O2 MolecularWeight: 257.16875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NC=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C=NC=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C10H6F3N3O2/c11-10(12,13)8-3-6(16-5-14-4-15-16)1-2-7(8)9(17)18/h1-5H,(H,17,18)