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Home > Encyclopedia > 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid

1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid

1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid structure

1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid 

structure
  • CAS No:

    104821-43-4

  • Formula:

    C25H32ClFN2O5S2

  • Chemical Name:

    1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid

1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid Basic Attributes

559.11300

558.1425203

Characteristics

112.99000

5.45880

547.8ºC

285.1ºC

4.73E-12mmHg at 25°C

Computed Properties

Molecular Weight:559.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:558.1425203
Monoisotopic Mass:558.1425203
Topological Polar Surface Area:113
Heavy Atom Count:36
Complexity:668
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Guide of 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine,methanesulfonic acid

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