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

Systemtic Name: 5-[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloranyl-4-fluoranyl-benzoic acid Openeye Name: 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid CAS Name: 5-[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-chloro-4-fluorobenzoic acid IUPAC Name: 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid Formula: C12H6BrClF4N2O2 MolecularWeight: 413.494105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C(=C(C(=N1)[14C]2=[14CH][14C](=[14C]([14CH]=[14C]2F)Cl)C(=O)O)Br)C(F)(F)F

InChI

InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)/i2+2,3+2,4+2,5+2,6+2,7+2