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

Systemtic Name: 5-chloranyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C12H8ClF3N2O2 MolecularWeight: 304.65233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H8ClF3N2O2/c1-6-9(11(19)20)10(13)18(17-6)8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3,(H,19,20)