2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(F)(F)F)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C(F)(F)F)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c1-7-6-10(12(13,14)15)17(16-7)9-5-3-2-4-8(9)11(18)19/h2-6H,1H3,(H,18,19)