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CAS Number: 129075-59-8
5-chloro-3,4-dihydroisoquinolin-1(2H)-one

Structure

5-chloro-3,4-dihydroisoquinolin-1(2H)-one
Name: 5-chloro-3,4-dihydroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 129075598

CAS Registry Number 129075-59-8
Name:
1(2H)?-?Isoquinolinone, 5-?chloro-?3,?4-?dihydro-
5-Chloro-3,4-dihydro-2H-isoquinolin-1-one

 

Chemical Formula: C9H8ClNO
Exact Mass: 181.03
Molecular Weight: 181.62
m/z: 181.03 (100.0%), 183.03 (32.2%), 182.03 (10.1%), 184.03 (3.2%)

 

InChI:InChI=1S/C9H8ClNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)

InChI Key:ZFVBSNKDRBLAQP-UHFFFAOYSA-N

Canonical SMILES:C1CNC(=O)C2=C1C(=CC=C2)Cl

Specification

98%

References

PCT Int. Appl. (2012), WO 2012035078 A1 20120322.                                 

PCT Int. Appl. (2008), WO 2008060621 A2 20080522.                                 

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