| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:54:58 UTC |
|---|
| Update Date | 2025-03-21 18:04:25 UTC |
|---|
| HMDB ID | HMDB0246397 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050444 |
|---|
| Name | 1-Chloro-4-nitrobenzene |
|---|
| Frequency | 65.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H4ClNO2 |
|---|
| Molecular Mass | 156.9931 |
|---|
| SMILES | O=[N+]([O-])c1ccc(Cl)cc1 |
|---|
| InChI Key | CZGCEKJOLUNIFY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | nitrobenzenes |
|---|
| Direct Parent | nitrobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | organochlorideallyl-type 1,3-dipolar organic compoundorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundaryl chloridechlorobenzeneorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganic hyponitrite |
|---|
