CHEBI:262350 - 4-nitrobenzoic acid

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ChEBI Name 4-nitrobenzoic acid
ChEBI ID CHEBI:262350
Definition A nitrobenzoic acid having the nitro group at the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H5NO4
Net Charge 0
Average Mass 167.11890
Monoisotopic Mass 167.022
InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKey OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(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-nitrobenzoic acid (CHEBI:262350) has functional parent benzoic acid (CHEBI:30746)
4-nitrobenzoic acid (CHEBI:262350) is a nitrobenzoic acid (CHEBI:25553)
Incoming 2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent 4-nitrobenzoic acid (CHEBI:262350)
p-nitrobenzoyl group (CHEBI:60546) is substituent group from 4-nitrobenzoic acid (CHEBI:262350)
IUPAC Name
4-nitrobenzoic acid
Synonyms Sources
1-Carboxy-4-nitrobenzene ChemIDplus
4-Nitrodracylic acid ChemIDplus
Nitrodracylic acid ChemIDplus
p-Nitrobenzenecarboxylic acid ChemIDplus
p-Nitrobenzoic acid KEGG COMPOUND
p-Nitrobenzoic acid ChemIDplus
p-Nitrodracylic acid NIST Chemistry WebBook
Manual Xrefs Databases
4-Nitrobenzoic_acid Wikipedia
4NB PDBeChem
C18625 KEGG COMPOUND
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Registry Numbers Types Sources
240788 Gmelin Registry Number Gmelin
62-23-7 CAS Registry Number NIST Chemistry WebBook
62-23-7 CAS Registry Number ChemIDplus
973593 Reaxys Registry Number Reaxys
973593 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
21485294 PubMed citation Europe PMC
24068503 PubMed citation Europe PMC
Last Modified
28 July 2014