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CHEBI:262350 - 4-nitrobenzoic acid

ChEBI IDCHEBI:262350
ChEBI Name4-nitrobenzoic acid
Stars
DefinitionA nitrobenzoic acid having the nitro group at the 4-position.
Last Modified10 January 2019
DownloadsMolfile
FormulaC7H5NO4
Net Charge0
Average Mass167.120
Monoisotopic Mass167.02186
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKeyOTLNPYWUJOZPPA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-nitrobenzoic acid (CHEBI:262350) has functional parent benzoic acid (CHEBI:30746)
4-nitrobenzoic acid (CHEBI:262350) is a nitrobenzoic acid (CHEBI:25553)
4-nitrobenzoic acid (CHEBI:262350) is conjugate acid of 4-nitrobenzoate (CHEBI:142863)
Incoming Relation(s)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent 4-nitrobenzoic acid (CHEBI:262350)
4-nitrobenzoate (CHEBI:142863) is conjugate base of 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  Source
nitrodracylic acidChemIDplus
p-nitrobenzenecarboxylic acidChemIDplus
1-carboxy-4-nitrobenzeneChemIDplus
p-nitrobenzoic acidChemIDplus
4-nitrodracylic acidChemIDplus
p-nitrodracylic acidNIST Chemistry WebBook
Manual XrefsDatabases
C18625KEGG COMPOUND
4NBPDBeChem
4-Nitrobenzoic_acidWikipedia
CN101407464Patent
Registry NumbersSources
Gmelin:240788Gmelin
Reaxys:973593Reaxys
CAS:62-23-7ChemIDplus
CAS:62-23-7NIST Chemistry WebBook
Citations