
C27H26ClF2N3O4
2714434-21-4 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 7.0916 2.7089 0.0 0
M  V30 2 F 4.1166 1.9116 0.0 0
M  V30 3 C 8.5770 2.4175 0.0 0
M  V30 4 N 9.8385 1.5342 0.0 0
M  V30 5 O 7.1813 1.7665 0.0 0
M  V30 6 C 9.7043 0.0000 0.0 0
M  V30 7 F 7.9412 7.9526 0.0 0
M  V30 8 O 11.0212 7.9526 0.0 0
M  V30 9 C 12.5612 7.9526 0.0 0
M  V30 10 C 13.3312 9.2864 0.0 0
M  V30 11 O 14.8712 9.2864 0.0 0
M  V30 12 C 3.9552 8.4640 0.0 0
M  V30 13 C 5.3929 7.9121 0.0 0
M  V30 14 O 2.9861 7.2671 0.0 0
M  V30 15 C 5.3122 6.3742 0.0 0
M  V30 16 C 3.8247 5.9757 0.0 0
M  V30 17 C 6.4012 5.2853 0.0 0
M  V30 18 C 3.4262 4.4880 0.0 0
M  V30 19 C 6.0026 3.7978 0.0 0
M  V30 20 C 4.5151 3.3991 0.0 0
M  V30 21 C 4.6543 9.8361 0.0 0
M  V30 22 C 3.9552 11.2083 0.0 0
M  V30 23 N 6.1754 10.0770 0.0 0
M  V30 24 C 5.0441 12.2972 0.0 0
M  V30 25 C 6.4163 11.5981 0.0 0
M  V30 26 C 2.6636 9.3027 0.0 0
M  V30 27 C 1.2914 8.6035 0.0 0
M  V30 28 C 2.7443 10.8407 0.0 0
M  V30 29 C 0.0000 9.4424 0.0 0
M  V30 30 C 1.4527 11.6794 0.0 0
M  V30 31 C 0.0805 10.9802 0.0 0
M  V30 32 C 7.9412 5.2853 0.0 0
M  V30 33 C 8.7112 3.9516 0.0 0
M  V30 34 C 8.7112 6.6189 0.0 0
M  V30 35 C 10.2512 3.9516 0.0 0
M  V30 36 C 10.2512 6.6189 0.0 0
M  V30 37 N 11.0212 5.2853 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 19
M  V30 2 1 2 20
M  V30 3 1 3 4
M  V30 4 2 3 5
M  V30 5 1 3 33
M  V30 6 1 4 6
M  V30 7 1 7 34
M  V30 8 1 8 9
M  V30 9 1 8 36
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 21
M  V30 15 1 12 26
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 1 15 16
M  V30 19 2 15 17
M  V30 20 2 16 18
M  V30 21 1 17 19
M  V30 22 1 17 32
M  V30 23 1 18 20
M  V30 24 2 19 20
M  V30 25 1 21 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 1 24 25
M  V30 30 2 26 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 2 28 30
M  V30 34 2 29 31
M  V30 35 1 30 31
M  V30 36 1 32 33
M  V30 37 2 32 34
M  V30 38 2 33 35
M  V30 39 1 34 36
M  V30 40 1 35 37
M  V30 41 2 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2714434-21-4

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C27H26ClF2N3O4

> <molecular.weight>
529.96

> <boiling.point.predicted>
626.1±55.0 °C    Press: 760 Torr

> <density.predicted>
1.366±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.28±0.46    Most Acidic Temp: 25 °C

$$$$
