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CAS Number: 13959-01-8
ethyl 3-bromoisonicotinate

Structure

ethyl 3-bromoisonicotinate
Name: ethyl 3-bromoisonicotinate
Synonyms:
General Information
Product Number: 13959018

CAS Registry Number 13959-01-8
Name:
4-​Pyridinecarboxylic acid, 3-​bromo-​, ethyl ester
Isonicotinic acid, 3-bromo-, ethyl ester (7CI,8CI)
Ethyl 3-bromopyridine-4-carboxylate

 

Chemical Formula: C8H8BrNO2
Exact Mass: 228.97
Molecular Weight: 230.06
m/z: 228.97 (100.0%), 230.97 (97.3%), 229.98 (8.8%), 231.98 (8.6%)

 

InChI:InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3

InChI Key:KAJIRIIDTCRPKH-UHFFFAOYSA-N

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

Specification

98%

References

(1) Pierre, Fabrice; Journal of Medicinal Chemistry 2011, V54(2), P635-654 CAPLUS

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