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1025634-76-7

1025634-76-7 structural image
Product Name: METHYL 3-((DINITRILOMETHYL)DIAZENYL)-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE
Formula: C13H7N5O4S
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COMPUTED DESCRIPTORS

Molecular Weight 329.29 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 329.02187490 g/mol
Monoisotopic Mass 329.02187490 g/mol
Topological Polar Surface Area 173 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 599
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes