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CAS Number: 1217366-74-9
4-(4-bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile

Structure

 4-(4-bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile
Name: 4-(4-bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile
Synonyms:
General Information
Product Number: 1217366749

CAS Registry Number 1217366-74-9
Name:
Benzonitrile, 4-?[4-?bromo-?3-?(1,?3-?dioxolan-?2-?yl)?phenoxy]?-

 

Chemical Formula: C16H12BrNO3
Exact Mass: 345.00
Molecular Weight: 346.18
m/z: 345.00 (100.0%), 347.00 (98.0%), 346.00 (17.8%), 348.00 (17.4%), 349.00 (2.0%), 347.01 (1.4%)

 

InChI:InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2

InChI Key:LYBDMDIHPQNASE-UHFFFAOYSA-N

Canonical SMILES:C1COC(O1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C#N)Br

Specification

98%
References

Bioorganic & Medicinal Chemistry Letters (2009), 19(8), 2129-2132.                                  
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