2-Chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl]ethynyl]pyridine
C18H13ClFN3
802906-73-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.8366 5.3914 0.0 0
M  V30 2 C 6.2700 0.0000 0.0 0
M  V30 3 C 9.8973 4.0287 0.0 0
M  V30 4 C 11.2311 4.7987 0.0 0
M  V30 5 F 0.0000 3.3845 0.0 0
M  V30 6 Cl 16.5659 4.7987 0.0 0
M  V30 7 N 6.1263 2.7406 0.0 0
M  V30 8 C 7.1569 3.8850 0.0 0
M  V30 9 C 6.8963 1.4070 0.0 0
M  V30 10 C 8.5637 3.2587 0.0 0
M  V30 11 N 8.4027 1.7271 0.0 0
M  V30 12 C 4.5948 2.9015 0.0 0
M  V30 13 C 3.6896 1.6557 0.0 0
M  V30 14 C 3.9684 4.3085 0.0 0
M  V30 15 C 2.1580 1.8166 0.0 0
M  V30 16 C 2.4368 4.4694 0.0 0
M  V30 17 C 1.5317 3.2235 0.0 0
M  V30 18 C 12.5648 5.5687 0.0 0
M  V30 19 C 13.8984 4.7987 0.0 0
M  V30 20 C 12.5648 7.1087 0.0 0
M  V30 21 C 15.2321 5.5687 0.0 0
M  V30 22 C 13.8984 7.8787 0.0 0
M  V30 23 N 15.2321 7.1087 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 8
M  V30 2 1 2 9
M  V30 3 3 3 4
M  V30 4 1 3 10
M  V30 5 1 4 18
M  V30 6 1 5 17
M  V30 7 1 6 21
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 12
M  V30 11 2 8 10
M  V30 12 2 9 11
M  V30 13 1 10 11
M  V30 14 2 12 13
M  V30 15 1 12 14
M  V30 16 1 13 15
M  V30 17 2 14 16
M  V30 18 2 15 17
M  V30 19 1 16 17
M  V30 20 1 18 19
M  V30 21 2 18 20
M  V30 22 2 19 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
802906-73-6

> <cas.index.name>
Pyridine, 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl]ethynyl]-

> <molecular.formula>
C18H13ClFN3

> <molecular.weight>
325.77

> <boiling.point.predicted>
526.6±60.0 °C    Press: 760 Torr

> <density.predicted>
1.21±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.27±0.70    Most Basic Temp: 25 °C

$$$$
