CAS Registry Number: 908111-34-2

Name:

4H-​Indazol-​4-​one, 1,​5,​6,​7-​tetrahydro-​6,​6-​dimethyl-​3-​(trifluoromethyl)​-
6,​6-​Dimethyl-​3-​(trifluoromethyl)​-​6,​7-​dihydro-​1H-​indazol-​4(5H)​-​one 

Chemical Formula: C10H11F3N2O
Exact Mass: 232.08
Molecular Weight: 232.20
m/z: 232.08 (100.0%), 233.09 (11.0%)
Elemental Analysis: C, 51.73; H, 4.77; F, 24.55; N, 12.06; O, 6.89

InChI: InChI=1S/C10H11F3N2O/c1-9(2)3-5-7(6(16)4-9)8(15-14-5)10(11,12)13/h3-4H2,1-2H3,(H,14,15)
InChIKey: OFQAFLDKWBQAJI-UHFFFAOYSA-N
Canonical SMILES : CC1(CC2=C(C(=O)C1)C(=NN2)C(F)(F)F)C

Specification

98%

1. (1) Huang, Kenneth H.; Journal of Medicinal Chemistry 2009, V52(14), P4288-4305 CAPLUS
2. (2) Taldone, Tony; Bioorganic & Medicinal Chemistry 2011, V19(8), P2603-2614 CAPLUS