CAS Registry Number: 10406-05-0
Name:

5-chloro-1H-indole-3-carboxylic acid

5-chloroindole-3-carboxylic acid

Chemical Formula: C9H6ClNO2
Exact Mass: 195.01
Molecular Weight: 195.60
m/z: 195.01 (100.0%), 197.01 (32.4%), 196.01 (10.2%), 198.01 (3.2%)

InChI
InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChI Key
XUDITEOFEQOSAK-UHFFFAOYSA-N
Canonical SMILES
C1=CC2=C(C=C1Cl)C(=CN2)C(=O)O

Specification

98%

Journal of Medicinal Chemistry (2014), 57(17), 7293-7316.

PCT Int. Appl. (2013), WO 2013014102 A1 20130131