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81431-98-3

81431-98-3 structural image
Product Name: 2-CYANOPHENYL ISOTHIOCYANATE
Formula: C8H4N2S
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COMPUTED DESCRIPTORS

Molecular Weight 160.20 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 160.00951931 g/mol
Monoisotopic Mass 160.00951931 g/mol
Topological Polar Surface Area 68.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 222
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