CHEBI:39931 - 3-nitrotoluene

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ChEBI Name 3-nitrotoluene
ChEBI ID CHEBI:39931
Definition A mononitrotoluene carrying a nitro group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35228, CHEBI:39924
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Formula C7H7NO2
Net Charge 0
Average Mass 137.13600
Monoisotopic Mass 137.04768
InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey QZYHIOPPLUPUJF-UHFFFAOYSA-N
SMILES Cc1cccc(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing 3-nitrotoluene (CHEBI:39931) is a mononitrotoluene (CHEBI:63171)
IUPAC Name
1-methyl-3-nitrobenzene
Synonyms Sources
3-NITROTOLUENE PDBeChem
3-nitrotoluene UniProt
3-Nitrotoluol ChemIDplus
m-methylnitrobenzene NIST Chemistry WebBook
m-nitrotoluene NIST Chemistry WebBook
m-Nitrotoluol ChemIDplus
meta-Nitrotoluol ChemIDplus
Manual Xrefs Databases
3-Nitrotoluene Wikipedia
3NT PDBeChem
C19486 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1906910 Beilstein Registry Number Beilstein
1906910 Reaxys Registry Number Reaxys
279176 Gmelin Registry Number Gmelin
99-08-1 CAS Registry Number ChemIDplus
99-08-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
23212174 PubMed citation Europe PMC
23250222 PubMed citation Europe PMC
Last Modified
20 September 2018