CAS Registry Number:5430-45-5
Name:

5-chloroisoquinoline

5-Chloro-isoquinoline

Chemical Formula: C9H6ClN
Exact Mass: 163.02
Molecular Weight: 163.60
m/z: 163.02 (100.0%), 165.02 (32.0%), 164.02 (10.1%), 166.02 (3.1%)

InChI
InChI=1S/C9H6ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChI Key
PJHSMEMFNSINJE-UHFFFAOYSA-N
Canonical SMILES
C1=CC2=C(C=CN=C2)C(=C1)Cl

Specification

98%

Synthesis (2018), 50(11), 2181-2190

Journal of Medicinal Chemistry (2005), 48(15), 4972-4982.