MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-fluoro-2,4-dinitrobenzene

	Properties	Image
MNX_ID	MNXM32783
reference	chebi:53049
formula	C₆H₃FN₂O₄
global charge	0
mol weight	186.098
InChIKey	LOTKRQAVGJMPNV-UHFFFAOYSA-N
InChI	InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
SMILES	O=[N+]([O-])C1=CC=C(F)C([N+](=O)[O-])=C1

MNX internals

InChI (mnx)	InChI=1/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([F:7])=[C:6]([N+:9]([O-:12])=[O:13])[CH:3]=[C:4]1[N+:8]([O-:10])=[O:11]

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
Identifier	Description
CHEBI:53049 chebi:53049 LOTKRQAVGJMPNV-UHFFFAOYSA-N	1-fluoro-2,4-dinitrobenzene 1,2,4-Fluorodinitrobenzene 1-Fluoro-2,4-dinitrobenzene 2,4-DNFB 2,4-Dinitro-1-fluorobenzene 2,4-Dinitrobenzene fluoride 2,4-Dinitrobenzenefluoride 2,4-Dinitrofluorobenzene 2,4-Dinitrophenyl fluoride 2,4-Dnfb DFB DNFB Dinitrofluorobenzene FDNB Fluoro-2,4-dinitrobenzene Fluorodinitrobenzene
sabiork.compound:18764 sabiorkM:18764 LOTKRQAVGJMPNV-UHFFFAOYSA-N	1-Fluoro-2,4-dinitrobenzene
hmdb:HMDB0245460 LOTKRQAVGJMPNV-UHFFFAOYSA-N	1-Fluoro-2,4-dinitrobenzene 1 Fluoro 2,4 dinitrobenzene 1,2,4-Fluorodinitrobenzene 1-fluoro-2,4-dinitrobenzene 2,4-DNFB 2,4-Dinitro-1-fluorobenzene 2,4-Dinitrobenzene fluoride 2,4-Dinitrobenzenefluoride 2,4-Dinitrofluorobenzene 2,4-Dinitrophenyl fluoride DFB DNFB Dinitrofluorobenzene FDNB Fluoro-2,4-dinitrobenzene Fluorodinitrobenzene dinitrofluorobenzene
metacyc.compound:CPD-8983 metacycM:CPD-8983 seed.compound:cpd25521 seedM:cpd25521 LOTKRQAVGJMPNV-UHFFFAOYSA-N	1-fluoro-2,4-dinitrobenzene FDNB
seedM:M_cpd25521	secondary/obsolete/fantasy identifier