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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
Types
Sources
23212174
PubMed citation
Europe PMC
23250222
PubMed citation
Europe PMC
Last Modified
20 September 2018