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3006789-98-3

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3006789-98-3 Structure

3006789-98-3 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
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