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4-nitrotoluene

Properties

Image

Occurences in reactions

MNX_ID

MNXM10227

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₇H₇NO₂

charge

mass

137.04768

reference

InChIKey

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

SMILES

Cc1ccc([N+](=O)[O-])cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35227 chebi:35227	4-nitrotoluene 1-Methyl-4-nitrobenzene 1-methyl-4-nitrobenzene 4-Nitrotoluene 4-Nitrotoluol 4-methylnitrobenzene PNT p-methylnitrobenzene p-nitrotoluene para-Nitrotoluol
kegg.compound:C14394 keggC:C14394	4-Nitrotoluene 1-Methyl-4-nitrobenzene
seed.compound:cpd10093 seedM:cpd10093	4-Nitrotoluene 1-Methyl-4-nitrobenzene 4-nitrotoluene 4NT
metacyc.compound:CPD-701 metacycM:CPD-701	4-nitrotoluene 4NT
chebi:20461 chebi:33097 chebi:34431 keggC:M_C14394 seedM:M_cpd10093	secondary/obsolete/fantasy identifier