2-chloranyl-5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[1,4-dimethyl-5-(trifluoromethyl)-3-pyrazolyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluoro-benzoic acid Formula: C13H9ClF4N2O2 MolecularWeight: 336.669373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)C)C(F)(F)F

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)C)C(F)(F)F

InChI

InChI=1S/C13H9ClF4N2O2/c1-5-10(19-20(2)11(5)13(16,17)18)7-3-6(12(21)22)8(14)4-9(7)15/h3-4H,1-2H3,(H,21,22)