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Home > Encyclopedia > 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE

4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE

4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE structure

4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE 

structure
  • CAS No:

    1025673-99-7

  • Formula:

    C20H17Cl2N3O3

  • Chemical Name:

    4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE

  • Synonyms:

    (4Z)-3-tert-butyl-4-[(2,4-dichlorophenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one;ZINC33697120;AKOS005109743;MS-8032

4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE Basic Attributes

418.27

417.065

Characteristics

78.5

5.9

1.35±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:418.3
XLogP3:5.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:417.0646968
Monoisotopic Mass:417.0646968
Topological Polar Surface Area:78.5
Heavy Atom Count:28
Complexity:688
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE

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