6,7-Dichloro-N-(1,1-dimethylethyl)-3-(methylsulfonyl)-2-quinoxalinamine
C13H15Cl2N3O2S
281209-71-0 Copyright (C) 2024 ACS
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6437    1.3337    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.8737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    0.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5739    5.3348    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    8.0023    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    2.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2638    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4137    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4137    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2638    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <cas.rn>
281209-71-0

> <cas.index.name>
2-Quinoxalinamine, 6,7-dichloro-N-(1,1-dimethylethyl)-3-(methylsulfonyl)-

> <molecular.formula>
C13H15Cl2N3O2S

> <molecular.weight>
348.25

> <boiling.point.predicted>
535.233±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.423±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.259±0.10    Most Basic Temp: 25 °C

$$$$
