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99855-24-0

99855-24-0 structural image
Product Name: 1,4-diethoxy-2-isothiocyanatobenzene
Formula: C11H13NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 223.29 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 223.06669983 g/mol
Monoisotopic Mass 223.06669983 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 229
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