rel-[3-[[4-(Aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl][(3R,4R)-...
C18H17F4N3O3
2007885-39-2 Copyright (C) 2024 ACS
 28 30  0  0  0  0  0  0  0  0999 V2000
    6.6685    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0012    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0033    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3370    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7440    5.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4981    3.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2007885-39-2

> <cas.index.name>
Methanone, [3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl][(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]-, rel-

> <molecular.formula>
C18H17F4N3O3

> <molecular.weight>
399.34

> <boiling.point.predicted>
540.742±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.481±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.232±0.40    Most Acidic Temp: 25 °C

$$$$
