2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-(chloromethyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C10H8ClN3O2 MolecularWeight: 237.64242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C=NN=C2CCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C=NN=C2CCl

InChI

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