1396174-70-1

Name Paroxetine Impurity 45
CAS 1396174-70-1
Molecular Formula C19H20FNO3
Molecular Weight 329.37
MOL File 1396174-70-1.mol
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Chemical Properties

Boiling point  451.674±45.00 °C(Press: 760.00 Torr)(predicted)
density  1.213±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka 9.682±0.10(predicted)
InChI InChI=1/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17+/s3
InChIKey AHOUBRCZNHFOSL-DVNLHHTLNA-N
SMILES N1CC[C@@H](C2=CC=C(F)C=C2)[C@@H](COC2=CC=C3OCOC3=C2)C1 |&1:3,11,r|

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