3-Chloro-5-[[1-[[1,6-dihydro-6-oxo-5-(trifluoromethyl)-3-pyridazinyl]methyl]-...
C18H8ClF6N5O3
1591823-76-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.7802 4.0012 0.0 0
M  V30 2 C 9.2402 1.3337 0.0 0
M  V30 3 F 7.9065 0.5637 0.0 0
M  V30 4 F 10.0102 0.0000 0.0 0
M  V30 5 F 10.5739 2.1037 0.0 0
M  V30 6 O 9.2402 6.6685 0.0 0
M  V30 7 C 6.1601 6.6685 0.0 0
M  V30 8 C 15.4003 6.6685 0.0 0
M  V30 9 N 16.9404 6.6685 0.0 0
M  V30 10 Cl 10.7802 9.3360 0.0 0
M  V30 11 C 1.5400 9.3360 0.0 0
M  V30 12 F 2.8737 10.1060 0.0 0
M  V30 13 F 0.7700 10.6697 0.0 0
M  V30 14 F 0.2064 8.5660 0.0 0
M  V30 15 O 0.0000 6.6685 0.0 0
M  V30 16 C 9.2402 4.0012 0.0 0
M  V30 17 C 8.4702 2.6673 0.0 0
M  V30 18 C 8.4702 5.3348 0.0 0
M  V30 19 N 6.9302 2.6673 0.0 0
M  V30 20 N 6.9302 5.3348 0.0 0
M  V30 21 C 6.1601 4.0012 0.0 0
M  V30 22 C 11.5503 5.3348 0.0 0
M  V30 23 C 13.0903 5.3348 0.0 0
M  V30 24 C 10.7802 6.6685 0.0 0
M  V30 25 C 13.8603 6.6685 0.0 0
M  V30 26 C 11.5503 8.0022 0.0 0
M  V30 27 C 13.0903 8.0022 0.0 0
M  V30 28 C 4.6201 6.6685 0.0 0
M  V30 29 C 3.8501 8.0023 0.0 0
M  V30 30 N 3.8501 5.3348 0.0 0
M  V30 31 C 2.3101 8.0023 0.0 0
M  V30 32 N 2.3101 5.3348 0.0 0
M  V30 33 C 1.5400 6.6685 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 16
M  V30 2 1 1 22
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 2 5
M  V30 6 1 2 17
M  V30 7 2 6 18
M  V30 8 1 7 20
M  V30 9 1 7 28
M  V30 10 3 8 9
M  V30 11 1 8 25
M  V30 12 1 10 26
M  V30 13 1 11 12
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 1 11 31
M  V30 17 2 15 33
M  V30 18 2 16 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 1 20 21
M  V30 24 2 22 23
M  V30 25 1 22 24
M  V30 26 1 23 25
M  V30 27 2 24 26
M  V30 28 2 25 27
M  V30 29 1 26 27
M  V30 30 1 28 29
M  V30 31 2 28 30
M  V30 32 2 29 31
M  V30 33 1 30 32
M  V30 34 1 31 33
M  V30 35 1 32 33
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1591823-76-5

> <cas.index.name>
Benzonitrile, 3-chloro-5-[[1-[[1,6-dihydro-6-oxo-5-(trifluoromethyl)-3-pyridazinyl]methyl]-1,6-dihydro-6-oxo-4-(trifluoromethyl)-5-pyrimidinyl]oxy]-

> <molecular.formula>
C18H8ClF6N5O3

> <molecular.weight>
491.73

> <density.predicted>
1.65±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.65±0.60    Most Acidic Temp: 25 °C

$$$$
