| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:54 UTC |
|---|
| Update Date | 2025-03-21 18:34:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100261 |
|---|
| Frequency | 27.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5Cl2NO |
|---|
| Molecular Mass | 188.9748 |
|---|
| SMILES | NC(=O)c1ccc(Cl)cc1Cl |
|---|
| InChI Key | XXFUNTSOBHSMBU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | 2-halobenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 4-halobenzoic acids and derivativesaryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous halides |
|---|
| Substituents | primary carboxylic acid amideorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundbenzamide1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenecarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
