CAS Registry Number: 889942-73-8

Name:

1H-​Indole-​3-​carbonitrile, 4-​chloro-
4-​Chloro-​1H-​indole-​3-​carbonitrile; 4-​Chloroindole-​3-​carbonitrile 

Chemical Formula: C9H5ClN2
Exact Mass: 176.01
Molecular Weight: 176.60
m/z: 176.01 (100.0%), 178.01 (32.0%), 177.02 (9.8%), 179.01 (3.3%)

InChI: InChI=1S/C9H5ClN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H
InChIKey: GETNWFHVVSHRPS-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)Cl)C(=CN2)C#N

Specification

98%

1. (1) Lee, Ka Young; Bulletin of the Korean Chemical Society 2007, V28(2), P333-335 CAPLUS