CHEBI:28078 - 4-chlorophenol

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ChEBI Name 4-chlorophenol ChEBI ID CHEBI:28078 Definition A monochlorophenol substituted at the pare position by a chlorine atom. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20340, CHEBI:1807 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 C6H5ClO Net Charge 0 Average Mass 128.55600 Monoisotopic Mass 128.00289 InChI InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H InChIKey WXNZTHHGJRFXKQ-UHFFFAOYSA-N SMILES Oc1ccc(Cl)cc1 ChEBI Ontology Outgoing 4-chlorophenol (CHEBI:28078) is a monochlorophenol (CHEBI:38857) IUPAC Name 4-chlorophenol Synonyms Sources 4-Chlorophenol KEGG COMPOUND p-Chlorophenol KEGG COMPOUND p-chlorophenol ChEBI Parachlorophenol KEGG COMPOUND Manual Xrefs Databases 4CH PDBeChem C02124 KEGG COMPOUND c0295 UM-BBD CPD-10870 MetaCyc D00149 KEGG DRUG LSM-2913 LINCS View more database links Registry Numbers Types Sources 106-48-9 CAS Registry Number KEGG COMPOUND 106-48-9 CAS Registry Number ChemIDplus 106-48-9 CAS Registry Number NIST Chemistry WebBook 2902 Gmelin Registry Number Gmelin 507004 Beilstein Registry Number Beilstein 507004 Reaxys Registry Number Reaxys Citations Types Sources 10848923 PubMed citation Europe PMC 24279624 PubMed citation Europe PMC 24390833 PubMed citation Europe PMC 24473310 PubMed citation Europe PMC 24583212 PubMed citation Europe PMC 24725749 PubMed citation Europe PMC 24762698 PubMed citation Europe PMC 24794625 PubMed citation Europe PMC 24926596 PubMed citation Europe PMC Last Modified 25 February 2016