2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C10H8ClN3O2 MolecularWeight: 237.64242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=N2)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=N2)CC(=O)O)Cl

InChI

InChI=1S/C10H8ClN3O2/c11-7-4-2-1-3-6(7)10-12-8(13-14-10)5-9(15)16/h1-4H,5H2,(H,15,16)(H,12,13,14)