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CAS Number: 111043-06-2
1-(3-bromopyridin-4-yl)ethanone

Structure

1-(3-bromopyridin-4-yl)ethanone
Name: 1-(3-bromopyridin-4-yl)ethanone
Synonyms:
General Information
Product Number: 111043062

CAS Registry Number 111043-06-2
Name:
Ethanone, 1-​(3-​bromo-​4-​pyridinyl)​-
1-(3-Bromo-4-pyridinyl)ethanone
4-Acetyl-3-bromopyridine

 

Chemical Formula: C7H6BrNO
Exact Mass: 198.96
Molecular Weight: 200.03
m/z: 198.96 (100.0%), 200.96 (97.3%), 201.96 (7.7%), 199.97 (7.7%)

 

InChI:InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3

InChI Key:JCSJIVMVXJQSDE-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C(C=NC=C1)Br

Specification

98%

References

(1) Hay, Michael P.; Journal of Medicinal Chemistry 2010, V53(2), P787-797 CAPLUS

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