N-[3-[[2-(4-Chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pent-1-yl]-5-(d...
C19H16ClF3N4O3
2143542-28-1 Copyright (C) 2025 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    7.7000    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7266    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2666    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0366    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0021    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.6566    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.1966    2.6674    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3283    6.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3283    4.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    5.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4166    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5766    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3466    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3466    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8866    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8866    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6566    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 12 28  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <cas.rn>
2143542-28-1

> <cas.index.name>
2-Pyrazinecarboxamide, N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pent-1-yl]-5-(difluoromethyl)-

> <molecular.formula>
C19H16ClF3N4O3

> <molecular.weight>
440.80

> <boiling.point.predicted>
671.624±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.537±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.162±0.40    Most Acidic Temp: 25 °C

$$$$
