1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-bromophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C11H6BrF3N2O2 MolecularWeight: 335.07675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6BrF3N2O2/c12-7-3-1-2-4-8(7)17-9(11(13,14)15)6(5-16-17)10(18)19/h1-5H,(H,18,19)