Acetamide, 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3,5-dime...
C18H17ClFNO5
2922824-09-5 Copyright (C) 2025 ACS
 26 28  0  0  0  0  0  0  0  0999 V2000
    5.3900    6.6684    0.0000 N   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
    5.3900    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   10.6694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   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
    4.6200    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0021    0.0000 C   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
   10.0100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <cas.rn>
2922824-09-5

> <cas.index.name>
Acetamide, 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3,5-dimethoxyphenyl)-

> <molecular.formula>
C18H17ClFNO5

> <molecular.weight>
381.78

> <boiling.point.predicted>
632.546±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.363±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-4.447±0.20    Most Basic Temp: 25 °C

$$$$
