CHEBI:49509 - 2',6'-dichlorobiphenyl-2,3-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2',6'-dichlorobiphenyl-2,3-diol
ChEBI ID CHEBI:49509
Definition A hydroxybiphenyl that is catechol in which the hydrogen at position 3 has been replaced by a 2,6-dichlorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49508, CHEBI:32923
Supplier Information
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Formula C12H8Cl2O2
Net Charge 0
Average Mass 255.097
Monoisotopic Mass 253.99013
InChI InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H
InChIKey MCZUCSAAGDCHHN-UHFFFAOYSA-N
SMILES C=1(C(=CC=CC1Cl)Cl)C=2C(=C(C=CC2)O)O
ChEBI Ontology
Outgoing 2',6'-dichlorobiphenyl-2,3-diol (CHEBI:49509) has functional parent biphenyl-2,3-diol (CHEBI:16205)
2',6'-dichlorobiphenyl-2,3-diol (CHEBI:49509) is a catechols (CHEBI:33566)
2',6'-dichlorobiphenyl-2,3-diol (CHEBI:49509) is a dichlorobenzene (CHEBI:23697)
2',6'-dichlorobiphenyl-2,3-diol (CHEBI:49509) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name
2',6'-dichloro-[1,1'-biphenyl]-2,3-diol
Synonym Source
2',6'-DICHLORO-BIPHENYL-2,6-DIOL PDBeChem
Manual Xrefs Databases
BP6 PDBeChem
DB03259 DrugBank
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Last Modified
16 July 2016