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CHEBI:51846 - phenacyl bromide

ChEBI IDCHEBI:51846
ChEBI Namephenacyl bromide
Stars
DefinitionAn α-bromoketone that is acetophenone substituted by a bromo group at position 2.
Last Modified2 September 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H7BrO
Net Charge0
Average Mass199.047
Monoisotopic Mass197.96803
SMILESO=C(CBr)c1ccccc1
InChIInChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLIGACIXOYTUXAW-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
phenacyl bromide (CHEBI:51846) has role metabolite (CHEBI:25212)
phenacyl bromide (CHEBI:51846) is a acetophenones (CHEBI:22187)
phenacyl bromide (CHEBI:51846) is a α-bromoketone (CHEBI:51843)
IUPAC Name 
2-bromo-1-phenylethanone
Synonyms  Source
2-BromoacetophenoneChemIDplus
Bromomethyl phenyl ketoneChemIDplus
α-BromoacetophenoneNIST Chemistry WebBook
ω-BromoacetophenoneNIST Chemistry WebBook
Registry NumbersSources
Beilstein:606474Beilstein
CAS:70-11-1ChemIDplus
CAS:70-11-1NIST Chemistry WebBook