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CHEBI:90882 - 3,4-dichlorocatechol
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ChEBI Ontology
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ChEBI Name
3,4-dichlorocatechol
ChEBI ID
CHEBI:90882
Definition
A dichlorocatechol that is catechol in which the hydrogens at positions 3 and 4 are replaced by chlorines.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
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Formula
C6H4Cl2O2
Net Charge
0
Average Mass
179.001
Monoisotopic Mass
177.95883
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-2-4(9)6(10)5(3)8/h1-2,9-10H
InChIKey
HFSXRRTUWAPWSJ-UHFFFAOYSA-N
SMILES
C1(=C(C(=CC=C1O)Cl)Cl)O
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,4-dichlorocatechol (
CHEBI:90882
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
3,4-dichlorocatechol (
CHEBI:90882
)
is a
dichlorocatechol (
CHEBI:23699
)
IUPAC Name
3,4-dichlorobenzene-1,2-diol
Synonyms
Sources
3,4-dichlorocatechol
UniProt
DCBZ
ChemIDplus
Registry Numbers
Types
Sources
2089512
Reaxys Registry Number
Reaxys
3978-67-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15487783
PubMed citation
Europe PMC
16030237
PubMed citation
SUBMITTER
16348405
PubMed citation
Europe PMC
1987135
PubMed citation
Europe PMC
2013566
PubMed citation
Europe PMC
24196130
PubMed citation
Europe PMC
25178722
PubMed citation
Europe PMC
3281582
PubMed citation
Europe PMC
Last Modified
11 January 2016