5-Bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]thiophene
C17H12BrFO2S2
88149-94-4 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 Br 0.0000 8.7795 0.0 0
M  V30 2 S 9.7756 7.1043 0.0 0 VAL=6
M  V30 3 C 11.3156 7.1043 0.0 0
M  V30 4 O 9.7756 8.6443 0.0 0
M  V30 5 O 9.7756 5.5643 0.0 0
M  V30 6 F 4.6140 0.0000 0.0 0
M  V30 7 C 3.6156 7.1043 0.0 0
M  V30 8 C 2.7104 5.8585 0.0 0
M  V30 9 C 2.7104 8.3502 0.0 0
M  V30 10 S 1.2459 6.3343 0.0 0
M  V30 11 C 1.2459 7.8743 0.0 0
M  V30 12 C 5.1556 7.1043 0.0 0
M  V30 13 C 5.9256 8.4381 0.0 0
M  V30 14 C 5.9256 5.7707 0.0 0
M  V30 15 C 7.4656 8.4381 0.0 0
M  V30 16 C 7.4656 5.7707 0.0 0
M  V30 17 C 8.2356 7.1043 0.0 0
M  V30 18 C 3.1864 4.3939 0.0 0
M  V30 19 C 2.1558 3.2494 0.0 0
M  V30 20 C 4.6927 4.0736 0.0 0
M  V30 21 C 2.6317 1.7849 0.0 0
M  V30 22 C 5.1685 2.6091 0.0 0
M  V30 23 C 4.1381 1.4645 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 11
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 2 5
M  V30 5 1 2 17
M  V30 6 1 6 23
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 7 12
M  V30 10 1 8 10
M  V30 11 1 8 18
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 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 20 22
M  V30 24 2 21 23
M  V30 25 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
88149-94-4

> <cas.index.name>
Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-

> <molecular.formula>
C17H12BrFO2S2

> <molecular.weight>
411.31

> <melting.point.experimental>
129-131 °C

> <boiling.point.predicted>
454.1±45.0 °C    Press: 760 Torr

> <density.predicted>
1.514±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
