2-Cyano-3-(3,5-dichlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-prop...
C17H9Cl2F3N2O2
136186-07-7 Copyright (C) 2025 ACS
 26 27  0  0  0  0  0  0  0  0999 V2000
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    6.6687    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
136186-07-7

> <ca.index.name>
2-Propenamide, 2-cyano-3-(3,5-dichlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-

> <molecular.formula>
C17H9Cl2F3N2O2

> <smiles.canonical>
N#CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)=C(O)C=2C=C(Cl)C=C(Cl)C2

> <molecular.weight>
401.17

> <boiling.point.predicted>
536.906±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.547±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.046±0.60    Most Acidic Temp: 25 °C

$$$$
