(5R)-6-[2,3-Difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4,5-dihydro-5-methy...
C15H18F2N2O3
2131210-15-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 F 6.1600 0.0000 0.0 0
M  V30 2 C 4.6200 5.3347 0.0 0
M  V30 3 F 9.2400 0.0000 0.0 0
M  V30 4 O 10.7800 2.6673 0.0 0
M  V30 5 C 11.5500 4.0009 0.0 0
M  V30 6 C 13.0900 4.0009 0.0 0
M  V30 7 C 13.0900 5.5409 0.0 0
M  V30 8 C 14.6300 4.0009 0.0 0
M  V30 9 O 13.0900 2.4609 0.0 0
M  V30 10 O 0.0000 2.6673 0.0 0
M  V30 11 C 6.1600 2.6673 0.0 0
M  V30 12 C 6.9300 1.3336 0.0 0
M  V30 13 C 6.9300 4.0009 0.0 0
M  V30 14 C 8.4700 1.3336 0.0 0
M  V30 15 C 8.4700 4.0009 0.0 0
M  V30 16 C 9.2400 2.6673 0.0 0
M  V30 17 C 4.6200 2.6673 0.0 0
M  V30 18 C 3.8500 4.0009 0.0 0 CFG=2
M  V30 19 N 3.8500 1.3336 0.0 0
M  V30 20 C 2.3100 4.0009 0.0 0
M  V30 21 N 2.3100 1.3336 0.0 0
M  V30 22 C 1.5400 2.6673 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 1 18 2 CFG=1
M  V30 3 1 3 14
M  V30 4 1 4 5
M  V30 5 1 4 16
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 9
M  V30 10 2 10 22
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 11 17
M  V30 14 1 12 14
M  V30 15 2 13 15
M  V30 16 2 14 16
M  V30 17 1 15 16
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 18 20
M  V30 21 1 19 21
M  V30 22 1 20 22
M  V30 23 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 18)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2131210-15-4

> <cas.index.name>
3(2H)-Pyridazinone, 6-[2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4,5-dihydro-5-methyl-, (5R)-

> <molecular.formula>
C15H18F2N2O3

> <molecular.weight>
312.31

> <density.predicted>
1.32±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.26±0.60    Most Acidic Temp: 25 °C

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