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CHEBI:760708 - 3-hydroxy-3-(4-bromophenyl)propionitrile

Default Structure
ChEBI IDCHEBI:760708
ChEBI Name3-hydroxy-3-(4-bromophenyl)propionitrile
Stars
Last Modified11 August 2026
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H8BrNO
Net Charge0
Average Mass226.073
Monoisotopic Mass224.97893
SMILESN#CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5H2
InChIKeyQBIXYALEBZJFSR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-(4-bromophenyl)propionitrile (CHEBI:760708) is a benzyl alcohols (CHEBI:22743)
3-hydroxy-3-(4-bromophenyl)propionitrile (CHEBI:760708) is a bromobenzenes (CHEBI:37149)
3-hydroxy-3-(4-bromophenyl)propionitrile (CHEBI:760708) is a nitrile (CHEBI:18379)
3-hydroxy-3-(4-bromophenyl)propionitrile (CHEBI:760708) is a secondary alcohol (CHEBI:35681)
UniProt Name  Source
3-hydroxy-3-(4-bromophenyl)propanenitrileUniProt