Nefazodone
C25H32ClN5O2
83366-66-9 Copyright (C) 2024 ACS
 33 36  0  0  0  0  0  0  0  0999 V2000
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    4.3160    4.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    4.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176    8.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5228    9.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1842    3.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
83366-66-9

> <cas.index.name>
3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-

> <molecular.formula>
C25H32ClN5O2

> <molecular.weight>
470.01

> <melting.point.experimental>
83.5 °C

> <boiling.point.predicted>
599.571±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.235±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.653±0.10    Most Basic Temp: 25 °C

$$$$
