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CHEBI:47598 - 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL

Default Structure
ChEBI IDCHEBI:47598
ChEBI Name4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL
Stars
DownloadsMolfile
FormulaC12H6BrClF4N2O2
Net Charge0
Average Mass401.541
Monoisotopic Mass399.92373
SMILES[H]OC(=O)c1c([H])c(-c2nn(C([H])([H])[H])c(C(F)(F)F)c2Br)c(F)c([H])c1Cl
InChIInChI=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)
InChIKeyYNMHKERYELPEEF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL (CHEBI:47598) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOLPDBeChem
5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acidPDBeChem
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