(2S)-3-[[4-[2-Hydroxy-4-(trifluoromethyl)phenyl]-1-phthalazinyl]amino]-1,2-pr...
C18H16F3N3O3
2890191-41-8 Copyright (C) 2025 ACS
 27 29  0  0  1  0  0  0  0  0999 V2000
    6.1600    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4000    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.5411    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.4611    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
2890191-41-8

> <cas.index.name>
1,2-Propanediol, 3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]-1-phthalazinyl]amino]-, (2S)-

> <molecular.formula>
C18H16F3N3O3

> <molecular.weight>
379.33

> <boiling.point.predicted>
652.136±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.487±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
