Adenosine, 5′-chloro-5′-deoxy-2-fluoro-
C10H11ClFN5O3
2734853-80-4 Copyright (C) 2025 ACS
 20 22  0  0  1  0  0  0  0  0999 V2000
   10.5369    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    7.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    2.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.7053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    4.8805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178    6.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5494    6.1264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850    4.5603    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2585    3.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405    5.5908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7270    3.3145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4068    4.8208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
 18  3  1  1  0  0  0
  4  5  1  0  0  0  0
 19  4  1  6  0  0  0
 20  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 16  8  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
2734853-80-4

> <cas.index.name>
Adenosine, 5′-chloro-5′-deoxy-2-fluoro-

> <molecular.formula>
C10H11ClFN5O3

> <molecular.weight>
303.68

> <boiling.point.predicted>
711.528±70.00 °C    Press: 760.00 Torr

> <density.predicted>
2.122±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.961±0.70    Most Acidic Temp: 25 °C

$$$$
