3006789-98-3

Name N Nitroso Sertraline
CAS 3006789-98-3
Molecular Formula C17H16Cl2N2O
Molecular Weight 335.23
MOL File 3006789-98-3.mol
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Chemical Properties

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 Data

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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