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72301-69-0

72301-69-0 structural image
Product Name: Benzeneacetonitrile, 2-nitro-5-(phenylthio)-
Formula: C14H10N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 270.31 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 270.04629874 g/mol
Monoisotopic Mass 270.04629874 g/mol
Topological Polar Surface Area 94.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 354
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