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CAS Number: 912444-99-6
2-amino-5-fluoro-3-nitrobenzonitrile

Structure

 2-amino-5-fluoro-3-nitrobenzonitrile
Name: 2-amino-5-fluoro-3-nitrobenzonitrile
Synonyms:
General Information
Product Number: 912444996

CAS Registry Number 912444-99-6
Name:
Benzonitrile, 2-?amino-?5-?fluoro-?3-?nitro-
2-Amino-5-fluoro-3-nitrobenzonitrile

 

Chemical Formula: C7H4FN3O2
Exact Mass: 181.03
Molecular Weight: 181.12
m/z: 181.03 (100.0%), 182.03 (8.8%)

 

InChI:InChI=1S/C7H4FN3O2/c8-5-1-4(3-9)7(10)6(2-5)11(12)13/h1-2H,10H2

InChI Key:CYJVEXURDSLHTM-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1[N+](=O)[O-])N)C#N)F

Specification

98%
References

(1) Penning, Thomas D.; Journal of Medicinal Chemistry 2009, V52(2), P514-523 CAPLUS
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