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Home > Encyclopedia > butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate

butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate

butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate structure

butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate 

structure
  • CAS No:

    59921-66-3

  • Formula:

    C16H14N6O6S

  • Chemical Name:

    butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate

  • Synonyms:

    butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate;DTXSID70330326

butyl 3,5-dinitro-4-(5H-purin-6-ylsulfanyl)benzoate Basic Attributes

418.4 g/mol

418.06955336 g/mol

DTXSID70330326

Characteristics

193 Ų

Computed Properties

Molecular Weight:418.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:418.06955336
Monoisotopic Mass:418.06955336
Topological Polar Surface Area:193
Heavy Atom Count:29
Complexity:777
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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