CAS Registry Number: 849068-61-7

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​3-​carboxylic acid, 5-​bromo-

Chemical Formula: C8H5BrN2O2
Exact Mass: 239.95
Molecular Weight: 241.04
m/z: 239.95 (100.0%), 241.95 (97.3%), 242.95 (9.1%), 240.96 (8.8%)

InChI: InChI=1S/C8H5BrN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13)
InChIKey: AFVRLQXVTZZPGE-UHFFFAOYSA-N
Canonical SMILES : C1=C2C(=CNC2=NC=C1Br)C(=O)O

Specification

98%

PCT Int. Appl. (2010), WO 2010020308 A1 20100225.

PCT Int. Appl. (2005), WO 2005028475 A2 20050331.