1-(3,5-Difluorophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
C17H13F2NO
2757804-89-8 Copyright (C) 2024 ACS
 21 24  0  0  0  0  0  0  0  0999 V2000
    8.9160    6.9300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5833    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5947    4.5863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    3.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631    4.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    3.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    5.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    5.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5822    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5822    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9160    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9160    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
2757804-89-8

> <cas.index.name>
Pyrano[3,4-b]indole, 1-(3,5-difluorophenyl)-1,3,4,9-tetrahydro-

> <molecular.formula>
C17H13F2NO

> <molecular.weight>
285.29

> <boiling.point.predicted>
427.192±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.343±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
16.434±0.40    Most Acidic Temp: 25 °C

$$$$
