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CAS Number: 131002-09-0
6-chloroisoquinolin-1(2H)-one

Structure

 6-chloroisoquinolin-1(2H)-one
Name: 6-chloroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 131002090

CAS Registry Number 131002-09-0
Name:
1(2H)?-?Isoquinolinone, 6-?chloro-
6-Chloro-1-isoquinolone

 

Chemical Formula: C9H6ClNO
Exact Mass: 179.01
Molecular Weight: 179.60
m/z: 179.01 (100.0%), 181.01 (32.0%), 180.02 (9.8%), 182.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)

InChI Key:AVLGVJHAZWURPZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CNC2=O)C=C1Cl

Specification

98%
References

PCT Int. Appl. (2013), WO 2013079452 A1 20130606. 

PCT Int. Appl. (2003), WO 2003099274 A1 20031204.                                  
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