4-[(1R)-1-Methyl-2-[(methylsulfonyl)amino]-2-oxoethyl]phenyl 1,1,1-trifluorom...
C11H12F3NO6S2
849776-05-2 Copyright (C) 2024 ACS
 23 23  0  0  1  0  0  0  0  0999 V2000
    3.6437    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    3.8501    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
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    2.3101    6.5174    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9786    1.5400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.9786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3122    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3134    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7497    0.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9774    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3112    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3112    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
849776-05-2

> <cas.index.name>
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(1R)-1-methyl-2-[(methylsulfonyl)amino]-2-oxoethyl]phenyl ester

> <molecular.formula>
C11H12F3NO6S2

> <molecular.weight>
375.34

> <melting.point.experimental>
98-100 °C

> <density.predicted>
1.536±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.849±0.23    Most Acidic Temp: 25 °C

$$$$
