6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g...
C16H15ClN4O2
1638644-62-8 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  23 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 9.9668 3.1573 0.0 0
M  V30 2 C 5.4025 5.8374 0.0 0
M  V30 3 C 3.9333 6.0751 0.0 0
M  V30 4 C 6.1134 4.4918 0.0 0
M  V30 5 C 6.1274 7.2124 0.0 0
M  V30 6 N 3.6562 7.6001 0.0 0
M  V30 7 N 2.7874 5.0764 0.0 0
M  V30 8 C 5.3472 3.1711 0.0 0
M  V30 9 C 7.6566 4.4898 0.0 0
M  V30 10 N 5.0342 8.3033 0.0 0
M  V30 11 C 2.1966 8.1003 0.0 0
M  V30 12 C 1.3335 5.5764 0.0 0
M  V30 13 C 6.1200 1.8144 0.0 0
M  V30 14 C 8.4277 3.1573 0.0 0
M  V30 15 C 1.0295 7.0907 0.0 0
M  V30 16 N 0.1011 4.7422 0.0 0
M  V30 17 C 7.6562 1.8240 0.0 0
M  V30 18 O 5.1285 0.5518 0.0 0
M  V30 19 C 0.0000 3.2307 0.0 0
M  V30 20 C 3.6558 0.9484 0.0 0
M  V30 21 C 1.2017 2.3089 0.0 0
M  V30 22 C 2.4628 0.0000 0.0 0
M  V30 23 O 1.0493 0.7572 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 14
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 3 7
M  V30 7 1 4 8
M  V30 8 2 4 9
M  V30 9 2 5 10
M  V30 10 1 6 10
M  V30 11 1 6 11
M  V30 12 1 7 12
M  V30 13 2 8 13
M  V30 14 1 9 14
M  V30 15 2 11 15
M  V30 16 1 12 15
M  V30 17 2 12 16
M  V30 18 1 13 17
M  V30 19 1 13 18
M  V30 20 2 14 17
M  V30 21 1 16 19
M  V30 22 1 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 1 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1638644-62-8

> <cas.index.name>
13H-1,16-Etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine, 6-chloro-10,11,14,17-tetrahydro-

> <molecular.formula>
C16H15ClN4O2

> <molecular.weight>
330.77

> <boiling.point.predicted>
501.7±50.0 °C    Press: 760 Torr

> <density.predicted>
1.48±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.79±0.20    Most Basic Temp: 25 °C

$$$$
