Sertaconazole
C20H15Cl3N2OS
99592-32-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.0023 4.1618 0.0 0
M  V30 2 O 6.6687 4.9318 0.0 0
M  V30 3 C 5.3348 4.1618 0.0 0
M  V30 4 C 5.3348 2.6218 0.0 0
M  V30 5 Cl 14.3103 6.2743 0.0 0
M  V30 6 Cl 5.3348 7.2419 0.0 0
M  V30 7 Cl 0.0000 7.2419 0.0 0
M  V30 8 C 10.7430 4.3055 0.0 0
M  V30 9 C 11.7734 5.4499 0.0 0
M  V30 10 C 9.3360 4.9318 0.0 0
M  V30 11 C 11.2188 2.8407 0.0 0
M  V30 12 S 11.0034 6.7837 0.0 0
M  V30 13 C 13.2797 5.1297 0.0 0
M  V30 14 C 9.4969 6.4634 0.0 0
M  V30 15 C 12.7251 2.5206 0.0 0
M  V30 16 C 13.7557 3.6651 0.0 0
M  V30 17 C 4.0012 4.9318 0.0 0
M  V30 18 C 4.0012 6.4718 0.0 0
M  V30 19 C 2.6675 4.1618 0.0 0
M  V30 20 C 2.6675 7.2419 0.0 0
M  V30 21 C 1.3338 4.9318 0.0 0
M  V30 22 C 1.3338 6.4718 0.0 0
M  V30 23 N 4.0012 1.8517 0.0 0
M  V30 24 C 2.5943 2.4782 0.0 0
M  V30 25 C 3.8402 0.3202 0.0 0
M  V30 26 C 1.5638 1.3337 0.0 0
M  V30 27 N 2.3338 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 17
M  V30 6 1 4 23
M  V30 7 1 5 13
M  V30 8 1 6 18
M  V30 9 1 7 22
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 2 8 11
M  V30 13 1 9 12
M  V30 14 2 9 13
M  V30 15 2 10 14
M  V30 16 1 11 15
M  V30 17 1 12 14
M  V30 18 1 13 16
M  V30 19 2 15 16
M  V30 20 2 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 2 19 21
M  V30 24 2 20 22
M  V30 25 1 21 22
M  V30 26 1 23 24
M  V30 27 1 23 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
99592-32-2

> <cas.index.name>
1H-Imidazole, 1-[2-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-

> <molecular.formula>
C20H15Cl3N2OS

> <molecular.weight>
437.77

> <melting.point.experimental>
146-147 °C

> <boiling.point.predicted>
614.1±55.0 °C    Press: 760 Torr

> <density.predicted>
1.43±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
6.68±0.12    Most Basic Temp: 25 °C

$$$$
