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CAS Number: 864674-02-2
1-(2-bromopyridin-4-yl)ethanone

Structure

1-(2-bromopyridin-4-yl)ethanone
Name: 1-(2-bromopyridin-4-yl)ethanone
Synonyms:
General Information
Product Number: 864674022
CAS Registry Number: 864674-02-2
Name:
        Ethanone, 1-​(2-​bromo-​4-​pyridinyl)​-
        1-​(2-​Bromopyridin-​4-​yl)​ethanone; 2-​Bromo-​4-​acetylpyridine 
 
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%)
Elemental Analysis: C, 42.03; H, 3.02; Br, 39.95; N, 7.00; O, 8.00
 
InChI: InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
InChIKey: OCOXYYMZTJBJJN-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC(=NC=C1)Br

Specification

98%

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