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CHEBI:40443 - (4-nitrophenyl)acetic acid

ChEBI IDCHEBI:40443
ChEBI Name(4-nitrophenyl)acetic acid
Stars
DefinitionA member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group.
Last Modified23 December 2018
DownloadsMolfile
FormulaC8H7NO4
Net Charge0
Average Mass181.147
Monoisotopic Mass181.03751
SMILESO=C(O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyYBADLXQNJCMBKR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4-nitrophenyl)acetic acid (CHEBI:40443) has functional parent phenylacetic acid (CHEBI:30745)
(4-nitrophenyl)acetic acid (CHEBI:40443) is a C-nitro compound (CHEBI:35716)
(4-nitrophenyl)acetic acid (CHEBI:40443) is a phenylacetic acids (CHEBI:25978)
(4-nitrophenyl)acetic acid (CHEBI:40443) is conjugate acid of (4-nitrophenyl)acetate (CHEBI:78348)
Incoming Relation(s)
(4-nitrophenyl)acetate (CHEBI:78348) is conjugate base of (4-nitrophenyl)acetic acid (CHEBI:40443)
IUPAC Name 
(4-nitrophenyl)acetic acid
Synonyms  Source
4-nitrophenylacetic acidChemIDplus
p-nitrophenylacetic acidChemIDplus
2-(p-nitrophenyl)acetic acidChemIDplus
4-nitrobenzeneacetic acidChemIDplus
Manual XrefsDatabases
AANPDBeChem
DB07331DrugBank
Registry NumbersSources
Reaxys:1911801Reaxys
CAS:104-03-0ChemIDplus
Citations