CHEBI:27451 - N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine
ChEBI ID CHEBI:27451
ChEBI ASCII Name N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine
Definition 1,4-benzoquinone imine having a 3,5-dichloro-4-hydroxyphenyl substituent attached to the nitrogen atom.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:947, CHEBI:19396
Supplier Information
Download Molfile XML SDF
Formula C12H7Cl2NO2
Net Charge 0
Average Mass 268.09500
Monoisotopic Mass 266.98538
InChI InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,17H
InChIKey FBWADIKARMIWNM-UHFFFAOYSA-N
SMILES Oc1c(Cl)cc(cc1Cl)N=C1C=CC(=O)C=C1
ChEBI Ontology
Outgoing N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine (CHEBI:27451) has functional parent 1,4-benzoquinone imine (CHEBI:50192)
N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine (CHEBI:27451) has functional parent indophenol (CHEBI:50428)
N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine (CHEBI:27451) is a dichlorobenzene (CHEBI:23697)
N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine (CHEBI:27451) is a quinone imine (CHEBI:50193)
IUPAC Name
4-[(3,5-dichloro-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one
Registry Number Type Source
2217210 Beilstein Registry Number Beilstein
Last Modified
22 October 2014