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133737-32-3

Name PAGOCLONE
CAS 133737-32-3
EINECS(EC#) 225-799-5
Molecular Formula C23H22ClN3O2
MDL Number MFCD00864700
Molecular Weight 407.899
MOL File 133737-32-3.mol
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Chemical Properties

Boiling point  582.1±50.0 °C(Predicted)
density  1.273±0.06 g/cm3(Predicted)
form  Solid
pka 1.62±0.30(Predicted)
color  White to off-white
InChI InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3
InChIKey HIUPRQPBWVEQJJ-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(CC(=O)CCC(C)C)N1C1=CC=C2C(=N1)N=C(Cl)C=C2

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