155911-14-1

Name 6-TET
CAS 155911-14-1
Molecular Formula C21H8Cl4O7
Molecular Weight 514.1
MOL File 155911-14-1.mol
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Chemical Properties

Boiling point  788.9±60.0 °C(Predicted)
density  1.97±0.1 g/cm3(Predicted)
pka 1.69±0.20(Predicted)
InChI InChI=1S/C21H8Cl4O7/c22-9-2-7-14(4-12(9)26)31-15-5-13(27)10(23)3-8(15)21(7)17-16(20(30)32-21)11(24)1-6(18(17)25)19(28)29/h1-5,26-27H,(H,28,29)
InChIKey SCYFNBCUMYNVDK-UHFFFAOYSA-N
SMILES C12(C3=C(C=C(O)C(Cl)=C3)OC3=C1C=C(Cl)C(O)=C3)C1=C(C(Cl)=CC(C(O)=O)=C1Cl)C(=O)O2

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