CAS Registry Number: 800402-07-7

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid, 6-​chloro-

Chemical Formula: C8H5ClN2O2
Exact Mass: 196.00
Molecular Weight: 196.59
m/z: 196.00 (100.0%), 198.00 (32.0%), 197.01 (8.8%), 199.00 (3.0%)

InChI: InChI=1S/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChIKey: MFMDNNLHOKXYLL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=NC2=C1C=C(N2)C(=O)O)Cl

Specification

98%

(1) Bradley, Stuart Edward; WO 2004104001 A2 2004 CAPLUS