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2-chloro-4-nitrotoluene

PropertiesImage
MNX_IDMNXM165878 Image of MNXM165878
referencechebi:142283
formulaC7H6ClNO2
global charge0
mol weight171.583
InChIKeyLLYXJBROWQDVMI-UHFFFAOYSA-N
InChIInChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
SMILESCC1=C(Cl)C=C([N+](=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 Image of MNXM165878
SMILES (mnx)[CH3:1][C:5]1=[C:7]([Cl:8])[CH:4]=[C:6]([N+:9]([O-:10])=[O:11])[CH:3]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142283
chebi:142283
LLYXJBROWQDVMI-UHFFFAOYSA-N 		2-chloro-4-nitrotoluene
2,4-chloronitrotoluene
2-chloro-1-methyl-4-nitrobenzene
2-chloro-4-nitro-1-methylbenzene
3-chloro-4-methylnitrobenzene
o-chloro-p-nitrotoluene

metacyc.compound:CPD-18113
metacycM:CPD-18113
seed.compound:cpd31881
seedM:cpd31881
LLYXJBROWQDVMI-UHFFFAOYSA-N 		2-chloro-4-nitrotoluene

seedM:M_cpd31881 		secondary/obsolete/fantasy identifier