CHEBI:228003 - 2-benzyl-4-chlorophenol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-benzyl-4-chlorophenol
ChEBI ID CHEBI:228003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H11ClO
Net Charge 0
Average Mass 218.680
Monoisotopic Mass 218.04984
InChI InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKey NCKMMSIFQUPKCK-UHFFFAOYSA-N
SMILES ClC1=CC(=C(O)C=C1)CC2=CC=CC=C2
Metabolite of Species Details
Shewanella (NCBI:txid22) See: PubMed
ChEBI Ontology
Outgoing 2-benzyl-4-chlorophenol (CHEBI:228003) is a diarylmethane (CHEBI:51614)
IUPAC Name
2-benzyl-4-chlorophenol
Manual Xrefs Databases
8118 ChemSpider
D88696 KEGG DRUG
HMDB0245035 HMDB
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Registry Number Type Source
120-32-1 CAS Registry Number ChemIDplus