| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:22 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5Cl2NO2 |
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| Molecular Mass | 228.9697 |
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| SMILES | CC(=O)c1cc(Cl)c(O)c(C#N)c1Cl |
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| InChI Key | NZUKMNCPNKCVAQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesaryl chloridesbenzonitrilesbenzoyl derivativesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | monocyclic benzene moietynitrilearyl alkyl ketoneorganochloridebenzoylorganohalogen compoundorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol1,4-dichlorobenzenevinylogous halidebenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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