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

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

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

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

structure
  • CAS No:

    60112-26-7

  • Formula:

    C15H12N6O6S

  • Chemical Name:

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

  • Synonyms:

    3,5-dinitro-4-(7(9)H-purin-6-ylsulfanyl)-benzoic acid propyl ester;

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

404.35700

404.05390330 g/mol

DTXSID10330325

Characteristics

197.70000

3.93370

1.71g/cm3

578.6ºC

303.7ºC

1.765

Computed Properties

Molecular Weight:404.4
XLogP3:2.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:404.05390330
Monoisotopic Mass:404.05390330
Topological Polar Surface Area:193
Heavy Atom Count:28
Complexity:761
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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