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

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ChEBI Name 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid
ChEBI ID CHEBI:94080
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H12BrNO4S
Net Charge 0
Average Mass 394.241
Monoisotopic Mass 392.96704
InChI InChI=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)
InChIKey VKGGBLHFFRIHKZ-UHFFFAOYSA-N
SMILES COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]acetic acid (CHEBI:94080) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-4686 LINCS
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