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1019442-90-0

1019442-90-0 structural image
Product Name: 7-isothiocyanato-3,4-dihydro-2H-1,5-benzodioxepine
Formula: C10H9NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 207.25 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 207.03539970 g/mol
Monoisotopic Mass 207.03539970 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 240
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