CHEBI:28078 - 4-chlorophenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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Formula C6H5ClO
Net Charge 0
Average Mass 128.55600
Monoisotopic Mass 128.003
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
Database Links 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 Waiting for 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