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CHEBI:59472 - 4-amino-2-chlorobenzoic acid

ChEBI IDCHEBI:59472
ChEBI Name4-amino-2-chlorobenzoic acid
Stars
Definition4-Aminobenzoic acid in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine.
Last Modified23 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H6ClNO2
Net Charge0
Average Mass171.583
Monoisotopic Mass171.00871
SMILESNc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyMBDUKNCPOPMRJQ-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-amino-2-chlorobenzoic acid (CHEBI:59472) is a aminobenzoic acid (CHEBI:22495)
4-amino-2-chlorobenzoic acid (CHEBI:59472) is a monochlorobenzenes (CHEBI:83403)
Incoming Relation(s)
chloroprocaine (CHEBI:3636) has functional parent 4-amino-2-chlorobenzoic acid (CHEBI:59472)
Synonyms  Source
2-chloro-4-aminobenzoic acidChemIDplus
o-chloro-p-aminobenzoic acidChemIDplus
2-chloro-p-aminobenzoic acidChemIDplus
Registry NumbersSources
Beilstein:2803668Beilstein
CAS:2457-76-3ChemIDplus
CAS:2457-76-3NIST Chemistry WebBook