Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:40443 - (4-nitrophenyl)acetic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
104-03-0
CAS Registry Number
ChemIDplus
1911801
Reaxys Registry Number
Reaxys
Citation
Type
Source
10220579
PubMed citation
Europe PMC
Last Modified
23 December 2018