CAS Registry Number: 215453-51-3

Name:

Isoquinoline, 7-​bromo-​1-​chloro-
7-​Bromo-​1-​chloroisoquinoline 

Chemical Formula: C9H5BrClN
Exact Mass: 240.93
Molecular Weight: 242.50
m/z: 242.93 (100.0%), 240.93 (77.4%), 244.92 (24.1%), 243.93 (9.8%), 241.93 (7.8%), 245.93 (2.4%)

InChI: InChI=1S/C9H5BrClN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKey: UMSWWSIVPWVJOX-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC2=C1C=CN=C2Cl)Br

Specification

98%

1. (1) Shkavrov, Sergey; Synthetic Communications 2005, V35(5), P725-730 CAPLUS
2. (2) Fish, Paul V.; Journal of Medicinal Chemistry 2007, V50(10), P2341-2351 CAPLUS