Molecular Identity
1-Chloro-2,4-Dinitrobenzene
1-chloro-2,4-dinitrobenzene
PubChem CID: 6
1-chloro-2,4-dinitrobenzene is a C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. It has a role as a sensitiser, an allergen and an epitope. It is a C-nitro compound and a member of monochlorobenzenes.
2D Structure
Properties
C6H3ClN2O4
Molecular Formula
202.55
Molecular Weight
g/mol
201.9781
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
91.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
224
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ClIsomeric SMILES
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ClSynonyms(20)
1-chloro-2,4-dinitrobenzene2,4-Dinitrochlorobenzene97-00-7DinitrochlorobenzeneDNCBCDNB4-Chloro-1,3-dinitrobenzene2,4-Dinitrophenyl chlorideBenzene, 1-chloro-2,4-dinitro-Dinitrochlorobenzol1,3-Dinitro-4-chlorobenzene2,4-Dinitro-1-chlorobenzene6-Chloro-1,3-dinitrobenzene1-Chloro-2,4-dinitrobenzol1-Cloro-2,4-dinitrobenzene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Chloro-2,4-Dinitrobenzene
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