1-[2,2-bis(fluoranyl)ethyl]-4-bromanyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[2,2-bis(fluoranyl)ethyl]-4-bromanyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid CAS Name: 4-bromo-1-(2,2-difluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 4-bromo-1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid Formula: C6H5BrF2N2O2 MolecularWeight: 255.016906

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CC(F)F)C(=O)O)Br

Isomeric SMILES

C1=C(C(=NN1CC(F)F)C(=O)O)Br

InChI

InChI=1S/C6H5BrF2N2O2/c7-3-1-11(2-4(8)9)10-5(3)6(12)13/h1,4H,2H2,(H,12,13)