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Home > Encyclopedia > 2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile

2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile

2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile structure

2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile 

structure
  • CAS No:

    1212431-25-8

  • Formula:

    C23H21ClN2O3

  • Chemical Name:

    2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile

  • Synonyms:

    RSC001748;STK842495;AKOS003681081;2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile;(3S)-2-(6-chloro-1,3-benzodioxol-5-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile;1212431-25-8

2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile Basic Attributes

408.87744

408.124

Characteristics

83.1

4

Computed Properties

Molecular Weight:408.9
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:408.1240702
Monoisotopic Mass:408.1240702
Topological Polar Surface Area:83.1
Heavy Atom Count:29
Complexity:795
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-(1-adamantylcarbonyl)-3-(6-chloro-1,3-benzodioxol-5-yl)-1,1-cyclopropanedicarbonitrile

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