CHEBI:28318 - 3,6-dichlorocatechol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,6-dichlorocatechol
ChEBI ID CHEBI:28318
Definition A dichlorocatechol in which the two chloro groups are located at positions 3 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1415, CHEBI:19916
Supplier Information
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Formula C6H4Cl2O2
Net Charge 0
Average Mass 179.00016
Monoisotopic Mass 177.95883
InChI InChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKey OLCABUKQCUOXNU-UHFFFAOYSA-N
SMILES Oc1c(Cl)ccc(Cl)c1O
ChEBI Ontology
Outgoing 3,6-dichlorocatechol (CHEBI:28318) is a dichlorocatechol (CHEBI:23699)
3,6-dichlorocatechol (CHEBI:28318) is conjugate acid of 3,6-dichlorocatechol(1−) (CHEBI:77767)
Incoming 3,6-dichlorocatechol(1−) (CHEBI:77767) is conjugate base of 3,6-dichlorocatechol (CHEBI:28318)
IUPAC Name
3,6-dichlorobenzene-1,2-diol
Synonyms Sources
3,6-dichloro-1,2-benzenediol ChemIDplus
3,6-Dichlorocatechol KEGG COMPOUND
3,6-dichloropyrocatechol UM-BBD
Manual Xrefs Databases
c0590 UM-BBD
C07094 KEGG COMPOUND
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Registry Numbers Types Sources
1867514 Beilstein Registry Number Beilstein
3938-16-7 CAS Registry Number KEGG COMPOUND
3938-16-7 CAS Registry Number ChemIDplus
Last Modified
24 June 2014