CAS Registry Number: 1092347-30-2

Name:

1H-​Indene-​4-​carbonitrile, 5-​fluoro-​2,​3-​dihydro-​1-​oxo-
5-​Fluoro-​1-​oxo-​2,​3-​dihydro-​1H-​indene-​4-​carbonitrile 

Chemical Formula: C10H6FNO
Exact Mass: 175.04
Molecular Weight: 175.16
m/z: 175.04 (100.0%), 176.05 (10.9%)

InChI: InChI=1S/C20H24N4O3S/c1-13(25)14-7-6-10-16(11-14)21-18(26)12-17-19(27)22-20(28-17)24-23-15-8-4-2-3-5-9-15/h6-7,10-11,17H,2-5,8-9,12H2,1H3,(H,21,26)(H,22,24,27)/t17-/m1/s1
InChIKey: ZRWGICKPLPXMHG-QGZVFWFLSA-N
Canonical SMILES : CC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)NN=C3CCCCCC3
Isomeric SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)N=C(S2)NN=C3CCCCCC3

Specification

98%

PCT Int. Appl. (2013), WO 2013062892 A1 20130502.                                  

PCT Int. Appl. (2012), WO 2012058134 A1 20120503.