Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:27715 - 3-chlorocatechol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-chlorocatechol
ChEBI ID
CHEBI:27715
Definition
A chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1474, CHEBI:19986
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H5ClO2
Net Charge
0
Average Mass
144.55540
Monoisotopic Mass
143.99781
InChI
InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey
GQKDZDYQXPOXEM-UHFFFAOYSA-N
SMILES
Oc1cccc(Cl)c1O
ChEBI Ontology
Outgoing
3-chlorocatechol (
CHEBI:27715
)
is a
chlorocatechol (
CHEBI:23138
)
3-chlorocatechol (
CHEBI:27715
)
is a
monochlorobenzenes (
CHEBI:83403
)
IUPAC Name
3-chlorobenzene-1,2-diol
Synonyms
Sources
3-Chlorocatechol
KEGG COMPOUND
3-chlorocatechol
UniProt
3-chloropyrocatechol
ChemIDplus
Manual Xrefs
Databases
c0144
UM-BBD
C05618
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1936442
Beilstein Registry Number
Beilstein
4018-65-9
CAS Registry Number
KEGG COMPOUND
4018-65-9
CAS Registry Number
ChemIDplus
601665
Gmelin Registry Number
Gmelin
Last Modified
30 November 2015