3006789-98-3

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3006789-98-3 Structure

Identification	Back Directory
[Name] N Nitroso Sertraline
[CAS] 3006789-98-3
[Synonyms] N Nitroso Sertraline Sertraline Impurity 44 (N-Nitroso Sertraline)
[Molecular Formula] C17H16Cl2N2O
[MOL File] 3006789-98-3.mol
[Molecular Weight] 335.23

Chemical Properties	Back Directory
[Boiling point ] 493.5±45.0 °C(predicted)
[density ] 1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka] -4.93±0.40(predicted)
[InChI] InChI=1S/C17H16Cl2N2O/c1-21(20-22)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17H,7,9H2,1H3/t12-,17-/m0/s1
[InChIKey] JSJQTSRHWMIRDB-SJCJKPOMSA-N
[SMILES] N([C@H]1CC[C@@H](C2C=CC(=C(C=2)Cl)Cl)C2=CC=CC=C21)(C)N=O

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