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CHEBI:27986 - nitrosobenzene

ChEBI IDCHEBI:27986
ChEBI Namenitrosobenzene
Stars
DefinitionA nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene.
Secondary ChEBI IDsCHEBI:7597, CHEBI:25564, CHEBI:44191
Last Modified25 April 2017
DownloadsMolfile
FormulaC6H5NO
Net Charge0
Average Mass107.112
Monoisotopic Mass107.03711
SMILESO=Nc1ccccc1
InChIInChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKeyNLRKCXQQSUWLCH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
nitrosobenzene (CHEBI:27986) has functional parent benzene (CHEBI:16716)
nitrosobenzene (CHEBI:27986) has role xenobiotic metabolite (CHEBI:76206)
nitrosobenzene (CHEBI:27986) is a benzenes (CHEBI:22712)
nitrosobenzene (CHEBI:27986) is a nitroso compound (CHEBI:35800)
IUPAC Name 
nitrosobenzene
Synonyms  Source
NitrosobenzeneKEGG COMPOUND
NITROSOBENZENEPDBeChem
NOBChEBI
UniProt Name  Source
nitrosobenzeneUniProt
Manual XrefsDatabases
C06876KEGG COMPOUND
c0314UM-BBD
NBEPDBeChem
NitrosobenzeneWikipedia
Registry NumbersSources
Reaxys:605688Reaxys
CAS:586-96-9KEGG COMPOUND
CAS:586-96-9NIST Chemistry WebBook
CAS:586-96-9ChemIDplus
Citations