5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C12H6F6N2O2 MolecularWeight: 324.178659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H6F6N2O2/c13-11(14,15)6-2-1-3-7(4-6)20-9(12(16,17)18)8(5-19-20)10(21)22/h1-5H,(H,21,22)