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> Main
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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Molfile
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Molfile
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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
View more database links
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
Types
Sources
20218696
PubMed citation
Europe PMC
20361745
PubMed citation
Europe PMC
27802018
PubMed citation
Europe PMC
Last Modified
28 April 2022