4-chloranyl-2-fluoranyl-5-[6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid

Systemtic Name: 4-chloranyl-2-fluoranyl-5-[6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Openeye Name: 4-chloro-2-fluoro-5-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid CAS Name: 4-chloro-2-fluoro-5-[6-oxo-4-(trifluoromethyl)-1-pyridazinyl]benzoic acid IUPAC Name: 4-chloro-2-fluoro-5-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Traditional Name: 4-chloro-2-fluoro-5-[6-keto-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Formula: C12H5ClF4N2O3 MolecularWeight: 336.626313

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN(C1=O)C2=C(C=C(C(=C2)C(=O)O)F)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=NN(C1=O)C2=C(C=C(C(=C2)C(=O)O)F)Cl)C(F)(F)F

InChI

InChI=1S/C12H5ClF4N2O3/c13-7-3-8(14)6(11(21)22)2-9(7)19-10(20)1-5(4-18-19)12(15,16)17/h1-4H,(H,21,22)