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CAS Number: 1031927-91-9
6-bromoisoquinolin-3(2H)-one

Structure

6-bromoisoquinolin-3(2H)-one
Name: 6-bromoisoquinolin-3(2H)-one
Synonyms:
General Information
Product Number: 1031927919
CAS Registry Number: 1031927-91-9
Name:
3(2H)​-​Isoquinolinone, 6-​bromo-
6-​Bromoisoquinolin-​3-​ol 
 
Chemical Formula: C9H6BrNO
Exact Mass: 222.96
Molecular Weight: 224.05
m/z: 222.96 (100.0%), 224.96 (97.3%), 223.97 (9.8%), 225.96 (9.8%)
Elemental Analysis: C, 48.25; H, 2.70; Br, 35.66; N, 6.25; O, 7.14
 
InChI: InChI=1S/C9H6BrNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
InChIKey: MZXOHGOCNRWAPY-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=CNC(=O)C=C2C=C1Br

Specification

98%

References

PCT Int. Appl. (2014), WO 2014028459 A1 20140220.                                 

PCT Int. Appl. (2012), WO 2012056372 A1 20120503.

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