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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:51846 - phenacyl bromide
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ChEBI Ontology
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ChEBI Name
phenacyl bromide
ChEBI ID
CHEBI:51846
Definition
An α-bromoketone that is acetophenone substituted by a bromo group at position 2.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H7BrO
Net Charge
0
Average Mass
199.04458
Monoisotopic Mass
197.96803
InChI
InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
LIGACIXOYTUXAW-UHFFFAOYSA-N
SMILES
BrCC(=O)c1ccccc1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
phenacyl bromide (
CHEBI:51846
)
has role
metabolite (
CHEBI:25212
)
phenacyl bromide (
CHEBI:51846
)
is a
α-bromoketone (
CHEBI:51843
)
phenacyl bromide (
CHEBI:51846
)
is a
acetophenones (
CHEBI:22187
)
IUPAC Name
2-bromo-1-phenylethanone
Synonyms
Sources
2-Bromoacetophenone
ChemIDplus
α-Bromoacetophenone
NIST Chemistry WebBook
Bromomethyl phenyl ketone
ChemIDplus
ω-Bromoacetophenone
NIST Chemistry WebBook
Registry Numbers
Types
Sources
606474
Beilstein Registry Number
Beilstein
70-11-1
CAS Registry Number
NIST Chemistry WebBook
70-11-1
CAS Registry Number
ChemIDplus
Last Modified
02 September 2015