Roflumilast N-oxide
C17H14Cl2F2N2O4
292135-78-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 3.8501 4.2075 0.0 0
M  V30 2 C 4.6201 2.8737 0.0 0
M  V30 3 O 2.3101 6.8749 0.0 0
M  V30 4 C 1.5400 8.2085 0.0 0
M  V30 5 F 2.3101 9.5424 0.0 0
M  V30 6 F 0.0000 8.2085 0.0 0
M  V30 7 C 8.4702 6.8749 0.0 0
M  V30 8 N 9.2402 8.2085 0.0 0
M  V30 9 O 9.2402 5.5412 0.0 0
M  V30 10 Cl 10.7802 5.5412 0.0 0
M  V30 11 Cl 10.7802 10.8760 0.0 0
M  V30 12 O 15.4003 8.2085 0.0 0
M  V30 13 C 4.6201 5.5412 0.0 0
M  V30 14 C 3.8501 6.8749 0.0 0
M  V30 15 C 6.1601 5.5412 0.0 0
M  V30 16 C 4.6201 8.2085 0.0 0
M  V30 17 C 6.9302 6.8749 0.0 0
M  V30 18 C 6.1601 8.2085 0.0 0
M  V30 19 C 3.8501 1.5400 0.0 0
M  V30 20 C 2.5164 0.7700 0.0 0
M  V30 21 C 3.8501 0.0000 0.0 0
M  V30 22 C 10.7802 8.2085 0.0 0
M  V30 23 C 11.5503 6.8749 0.0 0
M  V30 24 C 11.5503 9.5424 0.0 0
M  V30 25 C 13.0903 6.8749 0.0 0
M  V30 26 C 13.0903 9.5424 0.0 0
M  V30 27 N 13.8603 8.2085 0.0 0 VAL=5
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 13
M  V30 3 1 2 19
M  V30 4 1 3 4
M  V30 5 1 3 14
M  V30 6 1 4 5
M  V30 7 1 4 6
M  V30 8 1 7 8
M  V30 9 2 7 9
M  V30 10 1 7 17
M  V30 11 1 8 22
M  V30 12 1 10 23
M  V30 13 1 11 24
M  V30 14 2 12 27
M  V30 15 2 13 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 18
M  V30 21 1 19 20
M  V30 22 1 19 21
M  V30 23 1 20 21
M  V30 24 1 22 23
M  V30 25 2 22 24
M  V30 26 2 23 25
M  V30 27 1 24 26
M  V30 28 1 25 27
M  V30 29 2 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
292135-78-5

> <cas.index.name>
Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-

> <molecular.formula>
C17H14Cl2F2N2O4

> <molecular.weight>
419.21

> <boiling.point.predicted>
519.7±50.0 °C    Press: 760 Torr

> <density.predicted>
1.56±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.19±0.70    Most Acidic Temp: 25 °C

$$$$
