4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluoroben...
C26H27FN2O2
1174130-61-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.3103 4.9300 0.0 0
M  V30 2 C 0.0000 1.1091 0.0 0
M  V30 3 C 5.2183 0.0000 0.0 0
M  V30 4 O 11.6451 8.0100 0.0 0
M  V30 5 F 14.3126 9.5501 0.0 0
M  V30 6 C 16.9799 4.9300 0.0 0
M  V30 7 N 16.9799 3.3899 0.0 0
M  V30 8 O 18.3138 5.7000 0.0 0
M  V30 9 N 4.9766 5.7000 0.0 0
M  V30 10 C 3.5698 5.0736 0.0 0 CFG=2
M  V30 11 C 4.8157 7.2317 0.0 0
M  V30 12 C 2.5392 6.2182 0.0 0
M  V30 13 C 3.3092 7.5519 0.0 0
M  V30 14 C 3.2496 3.5673 0.0 0
M  V30 15 C 1.7849 3.0913 0.0 0
M  V30 16 C 4.3940 2.5367 0.0 0
M  V30 17 C 1.4647 1.5850 0.0 0
M  V30 18 C 4.0739 1.0304 0.0 0
M  V30 19 C 2.6091 0.5546 0.0 0
M  V30 20 C 7.6441 5.7000 0.0 0
M  V30 21 C 7.6441 7.2400 0.0 0
M  V30 22 C 8.9778 4.9300 0.0 0
M  V30 23 C 8.9778 8.0100 0.0 0
M  V30 24 C 10.3114 5.7000 0.0 0
M  V30 25 C 10.3114 7.2400 0.0 0
M  V30 26 C 12.9789 7.2400 0.0 0
M  V30 27 C 14.3126 8.0100 0.0 0
M  V30 28 C 12.9789 5.7000 0.0 0
M  V30 29 C 15.6463 7.2400 0.0 0
M  V30 30 C 14.3126 4.9300 0.0 0
M  V30 31 C 15.6463 5.7000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 9
M  V30 2 1 1 20
M  V30 3 1 2 17
M  V30 4 1 3 18
M  V30 5 1 4 25
M  V30 6 1 4 26
M  V30 7 1 5 27
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 1 6 31
M  V30 11 1 9 10
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 1 10 14 CFG=3
M  V30 15 1 11 13
M  V30 16 1 12 13
M  V30 17 2 14 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 2 16 18
M  V30 21 2 17 19
M  V30 22 1 18 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1174130-61-0

> <cas.index.name>
Benzamide, 4-[4-[[(2S)-2-(3,5-dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluoro-

> <molecular.formula>
C26H27FN2O2

> <molecular.weight>
418.50

> <boiling.point.predicted>
519.2±50.0 °C    Press: 760 Torr

> <density.predicted>
1.201±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.61±0.50    Most Acidic Temp: 25 °C

$$$$
