2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-(bromomethyl)-5-methylol-1,2,4-triazol-4-yl]benzoic acid Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C(=NN=C2CBr)CO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C(=NN=C2CBr)CO

InChI

InChI=1S/C11H10BrN3O3/c12-5-9-13-14-10(6-16)15(9)8-4-2-1-3-7(8)11(17)18/h1-4,16H,5-6H2,(H,17,18)