EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16836 - 4-nitrophenol

ChEBI IDCHEBI:16836
ChEBI Name4-nitrophenol
Stars
DefinitionA member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.
Secondary ChEBI IDsCHEBI:1913, CHEBI:12034, CHEBI:20457, CHEBI:44390
Last Modified13 March 2018
DownloadsMolfile

FormulaC6H5NO3
Net Charge0
Average Mass139.110
Monoisotopic Mass139.02694
SMILESO=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
4-nitrophenol
Synonyms  Source
4-NitrophenolKEGG COMPOUND
p-NitrophenolKEGG COMPOUND
PNPKEGG COMPOUND
NiphenKEGG COMPOUND
4-HydroxynitrobenzeneKEGG COMPOUND
paranitrophenolChemIDplus
Manual XrefsDatabases
C00870KEGG COMPOUND
c0086UM-BBD
NPOPDBeChem
DB04417DrugBank
P-NITROPHENOLMetaCyc
4-NitrophenolWikipedia
HMDB0001232HMDB
Registry NumbersSources
Gmelin:3311Gmelin
Reaxys:1281877Reaxys
CAS:100-02-7KEGG COMPOUND
CAS:100-02-7ChemIDplus
CAS:100-02-7NIST Chemistry WebBook
Citations