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CHEBI:94080 - 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid

ChEBI IDCHEBI:94080
ChEBI Name2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid
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DownloadsMolfile
FormulaC16H12BrNO4S
Net Charge0
Average Mass394.246
Monoisotopic Mass392.96704
SMILESCOc1cc(-c2nc3ccccc3s2)cc(Br)c1OCC(=O)O
InChIInChI=1S/C16H12BrNO4S/c1-21-12-7-9(6-10(17)15(12)22-8-14(19)20)16-18-11-4-2-3-5-13(11)23-16/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVKGGBLHFFRIHKZ-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-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid (CHEBI:94080) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-4686LINCS