CHEBI:134862 - clonitrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name clonitrate
ChEBI ID CHEBI:134862
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C3H5ClN2O6
Net Charge 0
Average Mass 200.535
Monoisotopic Mass 199.98361
InChI InChI=1S/C3H5ClN2O6/c4-1-3(12-6(9)10)2-11-5(7)8/h3H,1-2H2
InChIKey SUAJWTBTMNHVBZ-UHFFFAOYSA-N
SMILES C(CO[N+]([O-])=O)(O[N+](=O)[O-])(CCl)[H]
ChEBI Ontology
Outgoing clonitrate (CHEBI:134862) is a nitrate ester (CHEBI:51080)
Synonyms Sources
dinitrochlorhydrin DrugCentral
dinitrochlorohydrin DrugCentral
Manual Xref Database
3110 DrugCentral
View more database links
Registry Number Type Source
2612-33-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017