CHEBI:94129 - 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid

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ChEBI Name 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid
ChEBI ID CHEBI:94129
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H13BrO5
Net Charge 0
Average Mass 305.122
Monoisotopic Mass 303.99464
InChI InChI=1S/C11H13BrO5/c1-2-16-9-3-7(5-13)8(12)4-10(9)17-6-11(14)15/h3-4,13H,2,5-6H2,1H3,(H,14,15)
InChIKey HXTJKFGWUCMBNE-UHFFFAOYSA-N
SMILES CCOC1=C(C=C(C(=C1)CO)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-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid (CHEBI:94129) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-4739 LINCS
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