CHEBI:40443 - (4-nitrophenyl)acetic acid

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ChEBI Name (4-nitrophenyl)acetic acid
ChEBI ID CHEBI:40443
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H7NO4
Net Charge 0
Average Mass 181.14550
Monoisotopic Mass 181.03751
InChI InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey YBADLXQNJCMBKR-UHFFFAOYSA-N
SMILES OC(=O)Cc1ccc(cc1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (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 (4-nitrophenyl)acetate (CHEBI:78348) is conjugate base of (4-nitrophenyl)acetic acid (CHEBI:40443)
IUPAC Name
(4-nitrophenyl)acetic acid
Synonyms Sources
2-(p-nitrophenyl)acetic acid ChemIDplus
4-nitrobenzeneacetic acid ChemIDplus
4-nitrophenylacetic acid ChemIDplus
p-nitrophenylacetic acid ChemIDplus
Manual Xrefs Databases
AAN PDBeChem
DB07331 DrugBank
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Registry Numbers Types Sources
104-03-0 CAS Registry Number ChemIDplus
1911801 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
10220579 PubMed citation Europe PMC
Last Modified
23 December 2018