2,3-Dihydro-N-hydroxy-1,1-dimethyl-2-[5-(trifluoromethyl)-2-pyrazinyl]-1H-iso...
C16H15F3N4O2
2225728-57-2 Copyright (C) 2025 ACS
 25 27  0  0  0  0  0  0  0  0999 V2000
   11.4159    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9559    3.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6459    2.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7259    2.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    7.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2895    5.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    2.6673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5636    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6459    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0754    3.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    5.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    7.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4159    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6459    7.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  2  4  1  0  0  0  0
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 24 25  2  0  0  0  0
M  END
> <cas.rn>
2225728-57-2

> <cas.index.name>
1H-Isoindole-4-carboxamide, 2,3-dihydro-N-hydroxy-1,1-dimethyl-2-[5-(trifluoromethyl)-2-pyrazinyl]-

> <molecular.formula>
C16H15F3N4O2

> <molecular.weight>
352.31

> <density.predicted>
1.390±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.716±0.23    Most Acidic Temp: 25 °C

$$$$
