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CHEBI:39931 - 3-nitrotoluene

ChEBI IDCHEBI:39931
ChEBI Name3-nitrotoluene
Stars
DefinitionA mononitrotoluene carrying a nitro group at position 3.
Secondary ChEBI IDsCHEBI:35228, CHEBI:39924
Last Modified20 September 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H7NO2
Net Charge0
Average Mass137.138
Monoisotopic Mass137.04768
SMILESCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKeyQZYHIOPPLUPUJF-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
3-nitrotoluene (CHEBI:39931) is a mononitrotoluene (CHEBI:63171)
IUPAC Name 
1-methyl-3-nitrobenzene
Synonyms  Source
3-NITROTOLUENEPDBeChem
m-methylnitrobenzeneNIST Chemistry WebBook
meta-NitrotoluolChemIDplus
m-NitrotoluolChemIDplus
3-NitrotoluolChemIDplus
m-nitrotolueneNIST Chemistry WebBook
UniProt Name  Source
3-nitrotolueneUniProt
Manual XrefsDatabases
3NTPDBeChem
C19486KEGG COMPOUND
3-NitrotolueneWikipedia
Registry NumbersSources
Gmelin:279176Gmelin
Beilstein:1906910Beilstein
Reaxys:1906910Reaxys
CAS:99-08-1ChemIDplus
CAS:99-08-1NIST Chemistry WebBook
CAS:99-08-1KEGG COMPOUND
Citations