2-[3-[2-Chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]...
C28H22Cl3N3O5
1418274-28-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  39 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.6699 4.7967 0.0 0
M  V30 2 O 7.0036 4.0267 0.0 0
M  V30 3 Cl 5.2182 6.7141 0.0 0
M  V30 4 Cl 0.0000 5.6049 0.0 0
M  V30 5 Cl 9.6709 8.6468 0.0 0
M  V30 6 O 11.5684 8.4404 0.0 0
M  V30 7 C 19.5952 7.9239 0.0 0
M  V30 8 O 19.1966 9.4114 0.0 0
M  V30 9 O 21.0827 7.5252 0.0 0
M  V30 10 C 4.3361 4.0267 0.0 0
M  V30 11 C 2.9293 4.6532 0.0 0
M  V30 12 C 4.1752 2.4952 0.0 0
M  V30 13 N 1.8989 3.5086 0.0 0
M  V30 14 O 2.6689 2.1750 0.0 0
M  V30 15 C 2.6091 6.1595 0.0 0
M  V30 16 C 3.7535 7.1899 0.0 0
M  V30 17 C 1.1444 6.6354 0.0 0
M  V30 18 C 3.4333 8.6964 0.0 0
M  V30 19 C 0.8242 8.1418 0.0 0
M  V30 20 C 1.9688 9.1723 0.0 0
M  V30 21 C 5.3197 1.4647 0.0 0
M  V30 22 C 5.7956 0.0000 0.0 0
M  V30 23 C 6.8260 1.1445 0.0 0
M  V30 24 C 8.3373 4.7967 0.0 0
M  V30 25 C 8.3373 6.3368 0.0 0
M  V30 26 C 9.6709 4.0267 0.0 0
M  V30 27 C 9.6709 7.1068 0.0 0
M  V30 28 C 11.0047 4.7967 0.0 0
M  V30 29 C 11.0047 6.3368 0.0 0
M  V30 30 C 12.3384 7.1068 0.0 0
M  V30 31 C 13.1084 5.7731 0.0 0
M  V30 32 C 13.6721 7.8768 0.0 0
M  V30 33 N 14.4421 6.5431 0.0 0
M  V30 34 C 15.9296 6.1446 0.0 0
M  V30 35 C 17.0187 7.2335 0.0 0
M  V30 36 N 16.3283 4.6569 0.0 0
M  V30 37 C 18.5062 6.8350 0.0 0
M  V30 38 C 17.8158 4.2583 0.0 0
M  V30 39 C 18.9048 5.3473 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 2 24
M  V30 4 1 3 16
M  V30 5 1 4 17
M  V30 6 1 5 27
M  V30 7 1 6 30
M  V30 8 1 7 8
M  V30 9 2 7 9
M  V30 10 1 7 37
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 14 1 11 15
M  V30 15 1 12 14
M  V30 16 1 12 21
M  V30 17 1 13 14
M  V30 18 2 15 16
M  V30 19 1 15 17
M  V30 20 1 16 18
M  V30 21 2 17 19
M  V30 22 2 18 20
M  V30 23 1 19 20
M  V30 24 1 21 22
M  V30 25 1 21 23
M  V30 26 1 22 23
M  V30 27 2 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 2 26 28
M  V30 31 2 27 29
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 1 30 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 33
M  V30 38 1 33 34
M  V30 39 2 34 35
M  V30 40 1 34 36
M  V30 41 1 35 37
M  V30 42 2 36 38
M  V30 43 2 37 39
M  V30 44 1 38 39
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1418274-28-8

> <cas.index.name>
4-Pyridinecarboxylic acid, 2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]phenyl]-3-hydroxy-1-azetidinyl]-

> <molecular.formula>
C28H22Cl3N3O5

> <molecular.weight>
586.85

> <boiling.point.predicted>
855.5±65.0 °C    Press: 760 Torr

> <density.predicted>
1.538±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.10±0.10    Most Acidic Temp: 25 °C

$$$$
