N-[3-(6-Amino-3-pyridazinyl)-2-propyn-1-yl]-N-(4-fluorophenyl)-3,5-bis(triflu...
C22H14F7N5O
2832047-80-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  35 37 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 7.7000 6.6684 0.0 0
M  V30 2 C 8.4700 5.3347 0.0 0
M  V30 3 N 10.0100 5.3347 0.0 0
M  V30 4 O 7.7000 4.0011 0.0 0
M  V30 5 C 10.7800 6.6684 0.0 0
M  V30 6 C 12.3200 6.6684 0.0 0
M  V30 7 C 13.8600 6.6684 0.0 0
M  V30 8 C 6.1600 9.3358 0.0 0
M  V30 9 F 4.8264 10.1058 0.0 0
M  V30 10 F 6.9300 10.6694 0.0 0
M  V30 11 F 7.4936 8.5658 0.0 0
M  V30 12 C 1.5400 6.6684 0.0 0
M  V30 13 F 1.5400 5.1284 0.0 0
M  V30 14 F 0.0000 6.6684 0.0 0
M  V30 15 F 1.5400 8.2084 0.0 0
M  V30 16 F 13.0900 0.0000 0.0 0
M  V30 17 N 20.0200 6.6684 0.0 0
M  V30 18 C 6.1600 6.6684 0.0 0
M  V30 19 C 5.3900 8.0021 0.0 0
M  V30 20 N 5.3900 5.3347 0.0 0
M  V30 21 C 3.8500 8.0021 0.0 0
M  V30 22 C 3.8500 5.3347 0.0 0
M  V30 23 C 3.0800 6.6684 0.0 0
M  V30 24 C 10.7800 4.0011 0.0 0
M  V30 25 C 12.3200 4.0011 0.0 0
M  V30 26 C 10.0100 2.6673 0.0 0
M  V30 27 C 13.0900 2.6673 0.0 0
M  V30 28 C 10.7800 1.3336 0.0 0
M  V30 29 C 12.3200 1.3336 0.0 0
M  V30 30 C 15.4000 6.6684 0.0 0
M  V30 31 C 16.1700 5.3347 0.0 0
M  V30 32 N 16.1700 8.0021 0.0 0
M  V30 33 C 17.7100 5.3347 0.0 0
M  V30 34 N 17.7100 8.0021 0.0 0
M  V30 35 C 18.4800 6.6684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 18
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 3 5
M  V30 6 1 3 24
M  V30 7 1 5 6
M  V30 8 3 6 7
M  V30 9 1 7 30
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 8 11
M  V30 13 1 8 19
M  V30 14 1 12 13
M  V30 15 1 12 14
M  V30 16 1 12 15
M  V30 17 1 12 23
M  V30 18 1 16 29
M  V30 19 1 17 35
M  V30 20 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 20 22
M  V30 24 2 21 23
M  V30 25 1 22 23
M  V30 26 2 24 25
M  V30 27 1 24 26
M  V30 28 1 25 27
M  V30 29 2 26 28
M  V30 30 2 27 29
M  V30 31 1 28 29
M  V30 32 2 30 31
M  V30 33 1 30 32
M  V30 34 1 31 33
M  V30 35 2 32 34
M  V30 36 2 33 35
M  V30 37 1 34 35
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2832047-80-8

> <cas.index.name>
2-Pyridineacetamide, N-[3-(6-amino-3-pyridazinyl)-2-propyn-1-yl]-N-(4-fluorophenyl)-3,5-bis(trifluoromethyl)-

> <molecular.formula>
C22H14F7N5O

> <molecular.weight>
497.37

> <boiling.point.predicted>
599.1±50.0 °C    Press: 760 Torr

> <density.predicted>
1.52±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.36±0.10    Most Basic Temp: 25 °C

$$$$
