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CAS Number: 29241-64-3
5,6-dibromonicotinic acid

Structure

 5,6-dibromonicotinic acid
Name: 5,6-dibromonicotinic acid
Synonyms:
General Information
Product Number: 29241643

CAS Registry Number 29241-64-3
Name:
3-?Pyridinecarboxylic acid, 5,?6-?dibromo-
Nicotinic acid, 5,6-dibromo- (8CI)
5,6-Dibromo-3-pyridinecarboxylic acid
5,6-Dibromonicotinic acid

 

Chemical Formula: C6H3Br2NO2
Exact Mass: 278.85
Molecular Weight: 280.90
m/z: 280.85 (100.0%), 278.85 (51.4%), 282.85 (48.7%), 281.85 (6.9%), 279.86 (3.4%), 283.85 (3.4%)

 

InChI:InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)

InChI Key:ABBCIGFWDCOGEQ-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=NC(=C1Br)Br)C(=O)O

Specification

98%
References

PCT Int. Appl. (2011), WO 2011068171 A1 20110609.                                 

Journal of Medicinal Chemistry (2014), 57(14), 5949-5964.                                  
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