Glafenine
C19H17ClN2O4
3820-67-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 4.6201 5.3348 0.0 0
M  V30 2 Cl 0.0000 0.0000 0.0 0
M  V30 3 C 7.7002 5.3348 0.0 0
M  V30 4 O 9.2402 5.3348 0.0 0
M  V30 5 O 6.9302 4.0012 0.0 0
M  V30 6 C 10.0102 4.0012 0.0 0
M  V30 7 C 11.5503 4.0012 0.0 0
M  V30 8 C 12.3203 2.6675 0.0 0
M  V30 9 O 12.3203 5.3348 0.0 0
M  V30 10 O 13.8603 2.6675 0.0 0
M  V30 11 C 2.3101 4.0012 0.0 0
M  V30 12 C 3.0801 5.3348 0.0 0
M  V30 13 C 0.7700 4.0012 0.0 0
M  V30 14 C 3.0801 2.6675 0.0 0
M  V30 15 C 2.3101 6.6685 0.0 0
M  V30 16 N 0.0000 5.3348 0.0 0
M  V30 17 C 0.0000 2.6675 0.0 0
M  V30 18 C 2.3101 1.3337 0.0 0
M  V30 19 C 0.7700 6.6685 0.0 0
M  V30 20 C 0.7700 1.3337 0.0 0
M  V30 21 C 5.3901 6.6685 0.0 0
M  V30 22 C 6.9302 6.6685 0.0 0
M  V30 23 C 4.6201 8.0023 0.0 0
M  V30 24 C 7.7002 8.0023 0.0 0
M  V30 25 C 5.3901 9.3360 0.0 0
M  V30 26 C 6.9302 9.3360 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 1 1 21
M  V30 3 1 2 20
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 1 3 22
M  V30 7 1 4 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 7 9
M  V30 11 1 8 10
M  V30 12 1 11 12
M  V30 13 2 11 13
M  V30 14 1 11 14
M  V30 15 2 12 15
M  V30 16 1 13 16
M  V30 17 1 13 17
M  V30 18 2 14 18
M  V30 19 1 15 19
M  V30 20 2 16 19
M  V30 21 2 17 20
M  V30 22 1 18 20
M  V30 23 2 21 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 2 23 25
M  V30 27 2 24 26
M  V30 28 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
3820-67-5

> <cas.index.name>
Benzoic acid, 2-[(7-chloro-4-quinolinyl)amino]-, 2,3-dihydroxypropyl ester

> <molecular.formula>
C19H17ClN2O4

> <molecular.weight>
372.80

> <melting.point.experimental>
169.5 °C

> <boiling.point.predicted>
618.0±55.0 °C    Press: 760 Torr

> <density.predicted>
1.428±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.07±0.20    Most Acidic Temp: 25 °C

$$$$
