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

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,5-difluorophenyl)triazole-4-carboxylic acid CAS Name: 1-(3,5-difluorophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(3,5-difluorophenyl)triazole-4-carboxylic acid Traditional Name: 1-(3,5-difluorophenyl)triazole-4-carboxylic acid Formula: C9H5F2N3O2 MolecularWeight: 225.151706

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)N2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1F)F)N2C=C(N=N2)C(=O)O

InChI

InChI=1S/C9H5F2N3O2/c10-5-1-6(11)3-7(2-5)14-4-8(9(15)16)12-13-14/h1-4H,(H,15,16)