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CAS Number: 58139-82-5
3-bromo-4-methoxy-5-nitrobenzonitrile

Structure

3-bromo-4-methoxy-5-nitrobenzonitrile
Name: 3-bromo-4-methoxy-5-nitrobenzonitrile
Synonyms:
General Information
Product Number: 58139825

CAS Registry Number 58139-82-5
Name:
Benzonitrile, 3-​bromo-​4-​methoxy-​5-​nitro-
3-Bromo-4-methoxy-5-nitrobenzonitrile

 

Chemical Formula: C8H5BrN2O3
Exact Mass: 255.95
Molecular Weight: 257.04
m/z: 255.95 (100.0%), 257.95 (98.0%), 256.95 (9.6%), 258.95 (8.6%)

 

InChI:InChI=1S/C8H5BrN2O3/c1-14-8-6(9)2-5(4-10)3-7(8)11(12)13/h2-3H,1H3

InChI Key:RDIMSBOPVNFOAF-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1Br)C#N)[N+](=O)[O-]

Specification

98%

References

PCT Int. Appl. (2008), WO 2008156715 A1 20081224.

PCT Int. Appl. (2007), WO 2007070173 A2 20070621. 

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