CAS Registry Number: 958230-19-8

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​5-​carboxaldehyde, 4-​chloro-
4-​Chloro-​1H-​pyrrolo[2,​3-​b]​pyridine-​5-​carboxaldehyde 

Chemical Formula: C8H5ClN2O
Exact Mass: 180.01
Molecular Weight: 180.59
m/z: 180.01 (100.0%), 182.01 (32.2%), 181.01 (9.4%), 183.01 (2.8%)
Elemental Analysis: C, 53.21; H, 2.79; Cl, 19.63; N, 15.51; O, 8.86

InChI: InChI=1S/C8H5ClN2O/c9-7-5(4-12)3-11-8-6(7)1-2-10-8/h1-4H,(H,10,11)
InChIKey: SVRMXFJXIGCKII-UHFFFAOYSA-N
Canonical SMILES : C1=CNC2=NC=C(C(=C21)Cl)C=O

Specification

98%

PCT Int. Appl. (2013), WO 2013024895 A1 20130221.

PCT Int. Appl. (2011), WO 2011090738 A2 20110728.