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CAS Number: 853910-00-6
2-(2-fluoro-4-nitrophenyl)acetonitrile

Structure

2-(2-fluoro-4-nitrophenyl)acetonitrile
Name: 2-(2-fluoro-4-nitrophenyl)acetonitrile
Synonyms:
General Information
Product Number: 853910006
CAS Registry Number: 853910-00-6
Name:
Benzeneacetonitrile, 2-​fluoro-​4-​nitro-
(2-​Fluoro-​4-​nitrophenyl)​acetonitrile 
 
Chemical Formula: C8H5FN2O2
Exact Mass: 180.03
Molecular Weight: 180.14
m/z: 180.03 (100.0%), 181.04 (8.8%)
Elemental Analysis: C, 53.34; H, 2.80; F, 10.55; N, 15.55; O, 17.76
 
InChI: InChI=1S/C8H5FN2O2/c9-8-5-7(11(12)13)2-1-6(8)3-4-10/h1-2,5H,3H2
InChIKey: YTILGOKQDCCMQS-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1[N+](=O)[O-])F)CC#N

Specification

98%

References

PCT Int. Appl. (2008), WO 2008117175 A2 20081002.  

PCT Int. Appl. (2007), WO 2007113000 A1 20071011.                                  

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