EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232108 - 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole

Default Structure
ChEBI IDCHEBI:232108
ChEBI Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC12H6Cl2F6N2S
Net Charge0
Average Mass395.155
Monoisotopic Mass393.95329
SMILESCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1SC(F)(F)F
InChIInChI=1S/C12H6Cl2F6N2S/c1-5-9(23-12(18,19)20)4-22(21-5)10-7(13)2-6(3-8(10)14)11(15,16)17/h2-4H,1H3
InChIKeyOKAZDGJBWBMDEO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole (CHEBI:232108) is a organic molecular entity (CHEBI:50860)
Synonym  Source
JKU 0422SUBMITTER
Registry NumbersSources
CAS:107738-50-1SUBMITTER