1-(4-bromanyl-2-fluoranyl-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-5-isopropyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-2-fluorophenyl)-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-2-fluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-5-isopropyl-triazole-4-carboxylic acid Formula: C12H11BrFN3O2 MolecularWeight: 328.137043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=C(C=C(C=C2)Br)F)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=C(C=C(C=C2)Br)F)C(=O)O

InChI

InChI=1S/C12H11BrFN3O2/c1-6(2)11-10(12(18)19)15-16-17(11)9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,18,19)