CAS Registry Number:956700-16-6
 Name:

7-bromo-1-chloro-4-fluoroisoquinoline

1-Chloro-4-fluoro-7-bromoisoquinoline

Chemical Formula: C9H4BrClFN
Exact Mass: 258.92
Molecular Weight: 260.49
m/z: 260.92 (100.0%), 258.92 (77.4%), 262.91 (24.1%), 261.92 (9.8%), 259.92 (7.8%), 263.92 (2.4%)

InChI
InChI=1S/C9H4BrClFN/c10-5-1-2-6-7(3-5)9(11)13-4-8(6)12/h1-4H
InChI Key
WGKCGLPGSTWFRH-UHFFFAOYSA-N
Canonical SMILES
C1=CC2=C(C=C1Br)C(=NC=C2F)Cl

Specification

98%

Tetrahedron Letters (2007), 48(41), 7371-7373