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

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid CAS Name: 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Traditional Name: 2-chloro-4-fluoro-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid Formula: C12H7ClF4N2O2 MolecularWeight: 322.642793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H7ClF4N2O2/c1-19-10(12(15,16)17)4-9(18-19)6-2-5(11(20)21)7(13)3-8(6)14/h2-4H,1H3,(H,20,21)