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CHEBI:121354 - 2-[(6-butoxy-3-pyridinyl)amino]-4-chlorobenzoic acid

ChEBI IDCHEBI:121354
ChEBI Name2-[(6-butoxy-3-pyridinyl)amino]-4-chlorobenzoic acid
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DownloadsMolfile
FormulaC16H17ClN2O3
Net Charge0
Average Mass320.776
Monoisotopic Mass320.09277
SMILESCCCCOc1ccc(Nc2cc(Cl)ccc2C(=O)O)cn1
InChIInChI=1S/C16H17ClN2O3/c1-2-3-8-22-15-7-5-12(10-18-15)19-14-9-11(17)4-6-13(14)16(20)21/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyVJFNMPCCIPJOHB-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)
2-[(6-butoxy-3-pyridinyl)amino]-4-chlorobenzoic acid (CHEBI:121354) is a aminobenzoic acid (CHEBI:22495)
Manual XrefsDatabases
LSM-32797LINCS