| 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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