CAS Registry Number: 800401-84-7

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid, 5-​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/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
InChIKey: YMSGAOPCRLRFMT-UHFFFAOYSA-N
Canonical SMILES : C1=C2C=C(NC2=NC=C1Cl)C(=O)O

Specification

98%

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