CHEBI:27929 - 2,5-dichlorophenol

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ChEBI Name 2,5-dichlorophenol ChEBI ID CHEBI:27929 Definition A dichlorophenol with the chloro substituents at positions 2 and 5. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:933, CHEBI:19377 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H4Cl2O Net Charge 0 Average Mass 163.00076 Monoisotopic Mass 161.96392 InChI InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H InChIKey RANCECPPZPIPNO-UHFFFAOYSA-N SMILES Oc1cc(Cl)ccc1Cl Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,5-dichlorophenol (CHEBI:27929) has role human xenobiotic metabolite (CHEBI:76967) 2,5-dichlorophenol (CHEBI:27929) is a dichlorophenol (CHEBI:23702) IUPAC Name 2,5-dichlorophenol Synonyms Sources 2,5-DCP KEGG COMPOUND 2,5-Dichlorophenol KEGG COMPOUND Manual Xrefs Databases 25-DICHLOROPHENOL MetaCyc c0545 UM-BBD C06602 KEGG COMPOUND HMDB0041800 HMDB View more database links Registry Numbers Types Sources 1907692 Reaxys Registry Number Reaxys 583-78-8 CAS Registry Number KEGG COMPOUND 583-78-8 CAS Registry Number ChemIDplus 583-78-8 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 19247685 PubMed citation Europe PMC 9051121 PubMed citation Europe PMC Last Modified 23 October 2015