1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)triazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)triazole-4-carboxylic acid Formula: C9H5ClFN3O2 MolecularWeight: 241.606303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(N=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(N=N2)C(=O)O)Cl)F

InChI

InChI=1S/C9H5ClFN3O2/c10-6-3-5(1-2-7(6)11)14-4-8(9(15)16)12-13-14/h1-4H,(H,15,16)