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CAS Number: 501420-63-9
2-(3-bromo-4-fluorophenyl)acetonitrile

Structure

2-(3-bromo-4-fluorophenyl)acetonitrile
Name: 2-(3-bromo-4-fluorophenyl)acetonitrile
Synonyms:
General Information
Product Number: 501420639

CAS Registry Number 501420-63-9
Name:
Benzeneacetonitrile, 3-​bromo-​4-​fluoro-

 

Chemical Formula: C8H5BrFN
Exact Mass: 212.96
Molecular Weight: 214.03
m/z: 212.96 (100.0%), 214.96 (97.3%), 213.96 (9.0%), 215.96 (8.5%)

 

InChI:InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2

InChI Key:ORKCKZRBHXMWBO-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1CC#N)Br)F

Specification

98%

References

PCT Int. Appl. (2014), WO 2014183850 A1 20141120.

PCT Int. Appl. (2011), WO 2011071565 A1 20110616. 

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