CHEBI:48114 - 1,2,3-trinitrobenzene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2,3-trinitrobenzene
ChEBI ID CHEBI:48114
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H3N3O6
Net Charge 0
Average Mass 213.10450
Monoisotopic Mass 213.00218
InChI InChI=1S/C6H3N3O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H
InChIKey ONOWMDPHGJEBAZ-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1cccc(c1[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing 1,2,3-trinitrobenzene (CHEBI:48114) is a trinitrobenzene (CHEBI:48110)
IUPAC Name
1,2,3-trinitrobenzene
Synonym Source
1,2,3-Trinitrobenzol ChEBI
Registry Numbers Types Sources
1984193 Beilstein Registry Number Beilstein
603-13-4 CAS Registry Number NIST Chemistry WebBook
603-13-4 CAS Registry Number ChemIDplus
Last Modified
03 February 2011