2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Formula: C11H10ClN3O2 MolecularWeight: 251.669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)CCl

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2C(=O)O)CCl

InChI

InChI=1S/C11H10ClN3O2/c1-7-13-14-10(6-12)15(7)9-5-3-2-4-8(9)11(16)17/h2-5H,6H2,1H3,(H,16,17)