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CHEBI:52158 - monochlorobimane

ChEBI IDCHEBI:52158
ChEBI Namemonochlorobimane
Stars
Last Modified16 October 2014
SubmitterInma Spiteri
DownloadsMolfile
FormulaC10H11ClN2O2
Net Charge0
Average Mass226.663
Monoisotopic Mass226.05091
SMILESCc1c(C)n2c(CCl)c(C)c(=O)n2c1=O
InChIInChI=1S/C10H11ClN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
InChIKeySUIPVTCEECPFIB-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
monochlorobimane (CHEBI:52158) has role fluorochrome (CHEBI:51217)
monochlorobimane (CHEBI:52158) is a organochlorine compound (CHEBI:36683)
monochlorobimane (CHEBI:52158) is a pyrazolopyrazole (CHEBI:62826)
IUPAC Name 
3-(chloromethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Synonym  Source
NSC602733ChEBI
Registry NumbersSources
Beilstein:4440901Beilstein
CAS:76421-73-3ChemIDplus