6-[4-(3-Chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,...
C18H12ClFN6O
2001559-19-7 Copyright (C) 2025 ACS
 27 30  0  0  0  0  0  0  0  0999 V2000
    5.1906    2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295    0.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0691    7.1190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    5.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292    9.7864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    4.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    4.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974    2.7843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0756    3.0447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    2.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871    5.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808    5.1150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3630    6.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3503    6.2593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3326    8.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    6.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803    8.6293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2192    5.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7592    5.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    7.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292    7.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2192    8.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7592    8.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  3  0  0  0  0
  5 19  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  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>
2001559-19-7

> <cas.index.name>
Imidazo[1,2-b]pyridazine-3-carbonitrile, 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]-

> <molecular.formula>
C18H12ClFN6O

> <molecular.weight>
382.78

> <density.predicted>
1.530±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.458±0.10    Most Acidic Temp: 25 °C

$$$$
