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CHEBI:183441 - 4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole

Default Structure
ChEBI IDCHEBI:183441
ChEBI Name4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14ClFN2
Net Charge0
Average Mass252.720
Monoisotopic Mass252.08295
SMILESCc1nn(C)c(C)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2/c1-8-10(9(2)17(3)16-8)7-11-12(14)5-4-6-13(11)15/h4-6H,7H2,1-3H3
InChIKeyKOELDLATIIPFFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole (CHEBI:183441) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
4-[(2-chloro-6-luorophenyl)methyl]-1,3,5-trimethylpyrazole
Manual XrefsDatabases
2083375ChemSpider