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CAS Number: 214045-85-9
6-fluoroisoquinolin-1(2H)-one

Structure

6-fluoroisoquinolin-1(2H)-one
Name: 6-fluoroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 214045859
CAS Registry Number: 214045-85-9
Name:
        1(2H)​-​Isoquinolinone, 6-​fluoro-
        6-​Fluoro-​1-​isoquinolone; 6-​Fluoro-​2H-​isoquinolin-​1-​one 
 
Chemical Formula: C9H6FNO
Exact Mass: 163.04
Molecular Weight: 163.15
m/z: 163.04 (100.0%), 164.05 (9.8%)
Elemental Analysis: C, 66.26; H, 3.71; F, 11.64; N, 8.59; O, 9.81
 
InChI: InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChIKey: VCCTUCDRIAEXLU-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CNC2=O)C=C1F

Specification

98%

References

PCT Int. Appl. (2014), WO 2014062196 A1 20140424.

PCT Int. Appl. (2013), WO 2013004652 A1 20130110.

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