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CHEBI:187870 - (2-nitrophenyl)acetic acid

ChEBI IDCHEBI:187870
ChEBI Name(2-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 ortho- position by a nitro group.
Last Modified28 April 2022
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC8H7NO4
Net Charge0
Average Mass181.147
Monoisotopic Mass181.03751
SMILESO=C(O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyWMUZDBZPDLHUMW-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)
(2-nitrophenyl)acetic acid (CHEBI:187870) has functional parent nitrobenzene (CHEBI:27798)
(2-nitrophenyl)acetic acid (CHEBI:187870) has functional parent phenylacetic acid (CHEBI:30745)
(2-nitrophenyl)acetic acid (CHEBI:187870) is a C-nitro compound (CHEBI:35716)
(2-nitrophenyl)acetic acid (CHEBI:187870) is a phenylacetic acids (CHEBI:25978)
IUPAC Name 
(2-nitrophenyl)acetic acid
Synonyms  Source
o-nitrophenylacetic acidChemIDplus
ortho-nitrophenylacetic acidSUBMITTER
2-nitrophenylacetic acidChemIDplus
2-(o-nitrophenyl)acetic acidChemIDplus
(ortho-nitrophenyl)acetic acidChemIDplus
2-nitrobenzeneacetic acidChemIDplus
Manual XrefsDatabases
69754ChemSpider
Registry NumbersSources
Reaxys:1959243Reaxys
CAS:3740-52-1NIST Chemistry WebBook
CAS:3740-52-1ChemIDplus
Citations