(5R)-5-[4-[2-[3-(Fluoromethyl)-1-azetidinyl]ethoxy]phenyl]-8-(trifluoromethyl...
C29H24F4N2O3
2408840-26-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  38 43 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 9.0338 0.0000 0.0 0
M  V30 2 C 1.3338 10.6694 0.0 0
M  V30 3 F 2.6674 11.4394 0.0 0
M  V30 4 F 0.5638 12.0032 0.0 0
M  V30 5 F 0.0000 9.8994 0.0 0
M  V30 6 O 12.8838 6.6685 0.0 0
M  V30 7 C 13.6538 8.0021 0.0 0
M  V30 8 C 15.1938 8.0021 0.0 0
M  V30 9 C 17.8227 12.5556 0.0 0
M  V30 10 F 19.3627 12.5556 0.0 0
M  V30 11 C 5.9538 5.3347 0.0 0
M  V30 12 C 4.4138 5.3347 0.0 0
M  V30 13 C 6.7238 6.6685 0.0 0 CFG=1
M  V30 14 C 6.7238 4.0011 0.0 0
M  V30 15 C 3.6438 6.6685 0.0 0
M  V30 16 C 3.6438 4.0011 0.0 0
M  V30 17 O 5.9538 8.0021 0.0 0
M  V30 18 C 5.9538 2.6674 0.0 0
M  V30 19 C 8.2638 4.0011 0.0 0
M  V30 20 C 4.4138 8.0021 0.0 0
M  V30 21 C 2.1038 6.6685 0.0 0
M  V30 22 N 4.4138 2.6674 0.0 0
M  V30 23 C 6.7238 1.3338 0.0 0
M  V30 24 C 9.0338 2.6674 0.0 0
M  V30 25 C 3.6438 9.3358 0.0 0
M  V30 26 C 1.3338 8.0021 0.0 0
M  V30 27 C 8.2638 1.3338 0.0 0
M  V30 28 C 2.1038 9.3358 0.0 0
M  V30 29 C 8.2638 6.6685 0.0 0
M  V30 30 C 9.0338 8.0021 0.0 0
M  V30 31 C 9.0338 5.3347 0.0 0
M  V30 32 C 10.5738 8.0021 0.0 0
M  V30 33 C 10.5738 5.3347 0.0 0
M  V30 34 C 11.3438 6.6685 0.0 0
M  V30 35 N 15.9638 9.3358 0.0 0
M  V30 36 C 17.4513 9.7343 0.0 0
M  V30 37 C 15.5651 10.8233 0.0 0
M  V30 38 C 17.0527 11.2218 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 27
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 2 28
M  V30 6 1 6 7
M  V30 7 1 6 34
M  V30 8 1 7 8
M  V30 9 1 8 35
M  V30 10 1 9 10
M  V30 11 1 9 38
M  V30 12 1 11 12
M  V30 13 1 11 13
M  V30 14 2 11 14
M  V30 15 1 12 15
M  V30 16 2 12 16
M  V30 17 1 13 17
M  V30 18 1 13 29 CFG=3
M  V30 19 1 14 18
M  V30 20 1 14 19
M  V30 21 1 15 20
M  V30 22 2 15 21
M  V30 23 1 16 22
M  V30 24 1 17 20
M  V30 25 2 18 22
M  V30 26 1 18 23
M  V30 27 2 19 24
M  V30 28 2 20 25
M  V30 29 1 21 26
M  V30 30 2 23 27
M  V30 31 1 24 27
M  V30 32 1 25 28
M  V30 33 2 26 28
M  V30 34 2 29 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 2 31 33
M  V30 38 2 32 34
M  V30 39 1 33 34
M  V30 40 1 35 36
M  V30 41 1 35 37
M  V30 42 1 36 38
M  V30 43 1 37 38
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 13)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2408840-26-4

> <cas.index.name>
5H-[1]Benzopyrano[4,3-c]quinolin-2-ol, 5-[4-[2-[3-(fluoromethyl)-1-azetidinyl]ethoxy]phenyl]-8-(trifluoromethyl)-, (5R)-

> <molecular.formula>
C29H24F4N2O3

> <molecular.weight>
524.51

> <boiling.point.predicted>
682.9±55.0 °C    Press: 760 Torr

> <density.predicted>
1.360±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.57±0.40    Most Acidic Temp: 25 °C

$$$$
