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

Systemtic Name: 2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-fluoranyl-benzoic acid Openeye Name: 2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-fluoro-benzoic acid CAS Name: 2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-fluorobenzoic acid IUPAC Name: 2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-fluorobenzoic acid Traditional Name: 2-[3-(bromomethyl)-5-methyl-1,2,4-triazol-4-yl]-5-fluoro-benzoic acid Formula: C11H9BrFN3O2 MolecularWeight: 314.110463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)O)CBr

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)O)CBr

InChI

InChI=1S/C11H9BrFN3O2/c1-6-14-15-10(5-12)16(6)9-3-2-7(13)4-8(9)11(17)18/h2-4H,5H2,1H3,(H,17,18)