EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:94129
ChEBI Name2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid
Stars
DownloadsMolfile
FormulaC11H13BrO5
Net Charge0
Average Mass305.124
Monoisotopic Mass303.99464
SMILESCCOc1cc(CO)c(Br)cc1OCC(=O)O
InChIInChI=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)
InChIKeyHXTJKFGWUCMBNE-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-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid (CHEBI:94129) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-4739LINCS