CHEBI:28520 - 2,4,5-trichlorophenol

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ChEBI Name 2,4,5-trichlorophenol ChEBI ID CHEBI:28520 Definition A trichlorophenol carrying chloro groups at positions 2, 4 and 5. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:49904, CHEBI:896, CHEBI:19330 Supplier Information ChemicalBook:CB3714348, eMolecules:483850, ZINC000000002215 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H3Cl3O Net Charge 0 Average Mass 197.44552 Monoisotopic Mass 195.92495 InChI InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H InChIKey LHJGJYXLEPZJPM-UHFFFAOYSA-N SMILES Oc1cc(Cl)c(Cl)cc1Cl ChEBI Ontology Outgoing 2,4,5-trichlorophenol (CHEBI:28520) is a trichlorophenol (CHEBI:27102) IUPAC Name 2,4,5-trichlorophenol Synonyms Sources 2,4,5-TCP ChemIDplus 2,4,5-Trichlorophenol KEGG COMPOUND Manual Xrefs Databases 963 PPDB c0362 UM-BBD C07101 KEGG COMPOUND TC7 PDBeChem View more database links Registry Numbers Types Sources 102425 Gmelin Registry Number Gmelin 607569 Reaxys Registry Number Reaxys 95-95-4 CAS Registry Number KEGG COMPOUND 95-95-4 CAS Registry Number ChemIDplus 95-95-4 CAS Registry Number NIST Chemistry WebBook Citations Last Modified 12 September 2018

General Comment 2014-03-05 It is occasionally found in urine of humans exposed to organochlorine compounds.