CAS Registry Number: 948579-72-4

Name:

1H-​Indole-​3-​carboxylic acid, 5-​(trifluoromethyl)​-

Chemical Formula: C10H6F3NO2
Exact Mass: 229.04
Molecular Weight: 229.16
m/z: 229.04 (100.0%), 230.04 (11.0%)

InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)5-1-2-8-6(3-5)7(4-14-8)9(15)16/h1-4,14H,(H,15,16)
InChIKey: KZSFTBYSLQGMRD-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1C(F)(F)F)C(=CN2)C(=O)O

Specification

98%

PCT Int. Appl. (2012), WO 2012146318 A1 20121101.                                 

PCT Int. Appl. (2007), WO 2007100066 A1 20070907.