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55548-91-9

55548-91-9 structural image
Product Name: 2-((2,4,6-Trinitrophenyl)thio)ethanol
Formula: C8H7N3O7S
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COMPUTED DESCRIPTORS

Molecular Weight 289.22 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 289.00047074 g/mol
Monoisotopic Mass 289.00047074 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 339
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

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