compound 0111201

Properties Image MNX_ID MNXM1181050 reference envipathM:...48f6f7913125 formula C9H11ClF3O3 global charge -1 mol weight 259.631 InChIKey DPLJTTGBGHTXHY-UHFFFAOYSA-M InChI InChI=1S/C9H12ClF3O3/c1-8(2,4-7(15)16)6(14)3-5(10)9(11,12)13/h5H,3-4H2,1-2H3,(H,15,16)/p-1 SMILES CC(C)(CC(=O)[O-])C(=O)CC(Cl)C(F)(F)F MNX internals InChI (mnx) InChI=1/C9H12ClF3O3/c1-8(2,4-7(15)16)6(14)3-5(10)9(11,12)13/h5H,3-4H2,1-2H3,(H,15,16)/t5? SMILES (mnx) [CH3:1][C:8]([CH3:2])([CH2:4][C:7](=[O:15])[OH:16])[C:6]([CH2:3][CH:5]([C:9]([F:11])([F:12])[F:13])[Cl:10])=[O:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0