Molecular Identity
1-Chloro-4-nitrobenzene
1-chloro-4-nitrobenzene
PubChem CID: 7474
1-Chloro-4-nitrobenzene can cause cancer according to an independent committee of scientific and health experts.
2D Structure
Properties
C6H4ClNO2
Molecular Formula
157.55
Molecular Weight
g/mol
156.9931
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
45.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
126
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1[N+](=O)[O-])ClIsomeric SMILES
SMILES: C1=CC(=CC=C1[N+](=O)[O-])ClSynonyms(20)
4-Chloronitrobenzene1-CHLORO-4-NITROBENZENE100-00-5p-Chloronitrobenzenep-NitrochlorobenzeneBenzene, 1-chloro-4-nitro-4-Nitrochlorobenzene4-Chloro-1-nitrobenzenePNCB1-Nitro-4-chlorobenzene4-Nitro-1-chlorobenzenep-Nitrophenyl chloridep-Nitrochlorobenzolp-Nitroclorobenzenep-Nitrochloorbenzeen
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Chloro-4-nitrobenzene
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