1030123-90-0

Name AEM1
CAS 1030123-90-0
Molecular Formula C20H14FN3O2S
MDL Number MFCD15017488
Molecular Weight 379.41
MOL File 1030123-90-0.mol
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Chemical Properties

Boiling point  582.1±50.0 °C(Predicted)
density  1.457±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 30 mg/mL; DMF:PBS (pH 7.2) (1:4): 0.2 mg/mL; DMSO: 20 mg/mL; Ethanol: 0.25 mg/mL
form  A crystalline solid
pka 5.04±0.40(Predicted)
color  White to off-white
InChI 1S/C20H14FN3O2S/c21-14-4-2-13(3-5-14)15-9-27-20-18(15)19(23-10-24-20)22-8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2,(H,22,23,24)
InChIKey QGYLTGSHWIGJJD-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)c2c3c([s]c2)[nH]cn[c]3=NCc4cc5c(cc4)OCO5

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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