1-Piperidinecarboxylic acid, 3,3-difluoro-5-[(5R)-5-methyl-1,1-dioxido-2-isot...
C16H19ClF2N2O4S
3036158-98-9 Copyright (C) 2025 ACS
 26 28  0  0  1  0  0  0  0  0999 V2000
    3.3320    2.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9701    1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    4.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620    3.6334    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8080    5.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    4.7778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3016    6.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9711    4.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9711    5.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6386    4.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
3036158-98-9

> <cas.index.name>
1-Piperidinecarboxylic acid, 3,3-difluoro-5-[(5R)-5-methyl-1,1-dioxido-2-isothiazolidinyl]-, 4-chlorophenyl ester, (5R)-

> <molecular.formula>
C16H19ClF2N2O4S

> <molecular.weight>
408.85

> <boiling.point.predicted>
515.020±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.490±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
