1432660-47-3

Name AGI6780
CAS 1432660-47-3
Molecular Formula C21H18F3N3O3S2
MDL Number MFCD26097285
Molecular Weight 481.511
MOL File 1432660-47-3.mol
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Chemical Properties

density  1.52±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  ≥22.25 mg/mL in DMSO; insoluble in H2O; ≥100.8 mg/mL in EtOH
form  solid
pka 11.78±0.20(Predicted)
color  White to off-white
InChI 1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)
InChIKey CCAWRGNYALGPQH-UHFFFAOYSA-N
SMILES FC(F)(F)c1cc(ccc1)NC(=O)Nc2c(ccc(c2)[S](=O)(=O)NC4CC4)c3c[s]cc3

Safety Data

WGK Germany  WGK 3
HS Code  2935909099
Storage Class 11 - Combustible Solids

Hazard Information

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