5-[bis(fluoranyl)methyl]-1-(4-bromophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-[bis(fluoranyl)methyl]-1-(4-bromophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(difluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(difluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(difluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(difluoromethyl)pyrazole-4-carboxylic acid Formula: C11H7BrF2N2O2 MolecularWeight: 317.086286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)F)Br

InChI

InChI=1S/C11H7BrF2N2O2/c12-6-1-3-7(4-2-6)16-9(10(13)14)8(5-15-16)11(17)18/h1-5,10H,(H,17,18)