CHEBI:187870 - (2-nitrophenyl)acetic acid

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ChEBI Name (2-nitrophenyl)acetic acid
ChEBI ID CHEBI:187870
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information
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Formula C8H7NO4
Net Charge 0
Average Mass 181.147
Monoisotopic Mass 181.03751
InChI InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey WMUZDBZPDLHUMW-UHFFFAOYSA-N
SMILES OC(=O)CC1=C(C=CC=C1)[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 (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 Sources
(ortho-nitrophenyl)acetic acid ChemIDplus
2-(2-nitrophenyl)acetic acid ChEBI
2-(o-nitrophenyl)acetic acid ChemIDplus
2-nitrobenzeneacetic acid ChemIDplus
2-nitrophenylacetic acid ChemIDplus
o-nitrophenylacetic acid ChemIDplus
ortho-nitrophenylacetic acid SUBMITTER
Manual Xref Database
69754 ChemSpider
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Registry Numbers Types Sources
1959243 Reaxys Registry Number Reaxys
3740-52-1 CAS Registry Number NIST Chemistry WebBook
3740-52-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20218696 PubMed citation Europe PMC
20361745 PubMed citation Europe PMC
27802018 PubMed citation Europe PMC
Last Modified
28 April 2022