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CHEBI:74164 - nitrocyclohexane

ChEBI IDCHEBI:74164
ChEBI Namenitrocyclohexane
Stars
DefinitionA C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.
Last Modified18 November 2016
SubmitterKAX
DownloadsMolfile
FormulaC6H11NO2
Net Charge0
Average Mass129.159
Monoisotopic Mass129.07898
SMILESO=[N+]([O-])C1CCCCC1
InChIInChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyNJNQUTDUIPVROZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nitrocyclohexane (CHEBI:74164) is a carbocyclic compound (CHEBI:33598)
nitrocyclohexane (CHEBI:74164) is a nitrohydrocarbon (CHEBI:51129)
IUPAC Name 
nitrocyclohexane
Synonym  Source
1-nitrocyclohexaneChEBI
UniProt Name  Source
1-nitrocyclohexanUniProt
Manual XrefsDatabases
CPD-8139MetaCyc
CN101074198Patent
Registry NumbersSources
Beilstein:907243Beilstein
CAS:1122-60-7ChemIDplus
CAS:1122-60-7NIST Chemistry WebBook
Citations