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CHEBI:142282 - 4-chloro-3-methylcatechol
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ChEBI Ontology
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ChEBI Name
4-chloro-3-methylcatechol
ChEBI ID
CHEBI:142282
Definition
A chlorocatechol that is catechol which is substituted by a methyl group at position 3 and a chlorine at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
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Formula
C7H7ClO2
Net Charge
0
Average Mass
158.582
Monoisotopic Mass
158.01346
InChI
InChI=1S/C7H7ClO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
SMILES
C=1(C(=C(C=CC1O)Cl)C)O
ChEBI Ontology
Outgoing
4-chloro-3-methylcatechol (
CHEBI:142282
)
has functional parent
3-methylcatechol (
CHEBI:18404
)
4-chloro-3-methylcatechol (
CHEBI:142282
)
is a
chlorocatechol (
CHEBI:23138
)
4-chloro-3-methylcatechol (
CHEBI:142282
)
is a
methylcatechol (
CHEBI:25289
)
4-chloro-3-methylcatechol (
CHEBI:142282
)
is a
monochlorobenzenes (
CHEBI:83403
)
IUPAC Name
4-chloro-3-methylbenzene-1,2-diol
Synonyms
Sources
4-chloro-1,2-dihydroxy-3-methylbenzene
ChEBI
4-chloro-3-methyl-1,2-benzenediol
ChEBI
4-chloro-3-methylcatechol
UniProt
4-chloro-3-methylpyrocatechol
ChEBI
Manual Xref
Database
CPD-18116
MetaCyc
View more database links
Registry Numbers
Types
Sources
18257-21-1
CAS Registry Number
PubChem
9996267
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11823201
PubMed citation
SUBMITTER
1381172
PubMed citation
Europe PMC
15774876
PubMed citation
Europe PMC
21870046
PubMed citation
Europe PMC
26347719
PubMed citation
Europe PMC
Last Modified
21 September 2018