N-[1-[3-Chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]-4-piperi...
C23H20Cl2F3N5O2S
2301866-59-9 Copyright (C) 2024 ACS
 36 39  0  0  0  0  0  0  0  0999 V2000
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    8.0022    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6718    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6718    3.0801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6730    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.0067    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2301866-59-9

> <cas.index.name>
Thiourea, N-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]-4-piperidinyl]-N′-3-pyridinyl-

> <molecular.formula>
C23H20Cl2F3N5O2S

> <molecular.weight>
558.41

> <boiling.point.predicted>
601.459±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.527±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.331±0.10    Most Acidic Temp: 25 °C

$$$$
