4-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C12H8BrF3N2O2 MolecularWeight: 349.10333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C12H8BrF3N2O2/c1-6-9(13)10(12(14,15)16)17-18(6)8-4-2-7(3-5-8)11(19)20/h2-5H,1H3,(H,19,20)