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

Systemtic Name: 5-[4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloranyl-4-fluoranyl-benzoic acid Openeye Name: 5-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid CAS Name: 5-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid IUPAC Name: 5-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-benzoic acid Formula: C11H4BrClF4N2O2 MolecularWeight: 399.467525

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)O)Cl)F)C2=NNC(=C2Br)C(F)(F)F

Isomeric SMILES

[14CH]1=[14C]([14C](=[14CH][14C](=[14C]1C(=O)O)Cl)F)C2=NNC(=C2Br)C(F)(F)F

InChI

InChI=1S/C11H4BrClF4N2O2/c12-7-8(18-19-9(7)11(15,16)17)4-1-3(10(20)21)5(13)2-6(4)14/h1-2H,(H,18,19)(H,20,21)/i1+2,2+2,3+2,4+2,5+2,6+2