1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-propyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C12H10BrF2N3O2 MolecularWeight: 346.127506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=C(C=C(C=C2Br)F)F)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=C(C=C(C=C2Br)F)F)C(=O)O

InChI

InChI=1S/C12H10BrF2N3O2/c1-2-3-9-16-11(12(19)20)17-18(9)10-7(13)4-6(14)5-8(10)15/h4-5H,2-3H2,1H3,(H,19,20)