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CHEBI:25620 - 2-nitrobenzoic acid

ChEBI IDCHEBI:25620
ChEBI Name2-nitrobenzoic acid
Stars
DefinitionA nitrobenzoic acid carrying the nitro substituent at position 2.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H5NO4
Net Charge0
Average Mass167.120
Monoisotopic Mass167.02186
SMILESO=C(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKeySLAMLWHELXOEJZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-nitrobenzoic acid (CHEBI:25620) has functional parent benzoic acid (CHEBI:30746)
2-nitrobenzoic acid (CHEBI:25620) is a nitrobenzoic acid (CHEBI:25553)
2-nitrobenzoic acid (CHEBI:25620) is conjugate acid of 2-nitrobenzoate (CHEBI:25619)
Incoming Relation(s)
2-nitrobenzoate (CHEBI:25619) is conjugate base of 2-nitrobenzoic acid (CHEBI:25620)
IUPAC Name 
2-nitrobenzoic acid
Synonyms  Source
o-CarboxynitrobenzeneChemIDplus
o-Nitrobenzoic acidChemIDplus
2-Nitrobenzoic acidKEGG COMPOUND
Manual XrefsDatabases
C16234KEGG COMPOUND
CPD-9168MetaCyc
Registry NumbersSources
Reaxys:1910632Reaxys
CAS:552-16-9ChemIDplus
CAS:552-16-9NIST Chemistry WebBook
CAS:552-16-9KEGG COMPOUND
Citations