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Homecas442689-74-9

442689-74-9

442689-74-9 structural image
Product Name: 2-PHENYLBENZYL ISOTHIOCYANATE
Formula: C14H11NS
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COMPUTED DESCRIPTORS

Molecular Weight 225.31 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 225.06122053 g/mol
Monoisotopic Mass 225.06122053 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 252
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