253168-83-1

Name 1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-
CAS 253168-83-1
Molecular Formula C20H22N2O6S
MDL Number MFCD32197151
Molecular Weight 418.46
MOL File 253168-83-1.mol
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Chemical Properties

Boiling point  673.6±55.0 °C(Predicted)
density  1.383±0.06 g/cm3(Predicted)
pka -0.76±0.20(Predicted)
InChI InChI=1S/C20H22N2O6S/c1-4-28-17-10-12(8-9-16(17)27-2)15(11-29(3,25)26)22-19(23)13-6-5-7-14(21)18(13)20(22)24/h5-10,15H,4,11,21H2,1-3H3
InChIKey BHJUWEUNUCJYER-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C(N)=CC=C2)C(=O)N1C(C1=CC=C(OC)C(OCC)=C1)CS(C)(=O)=O

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