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956576-79-7

956576-79-7 structural image
Product Name: 1-ISOTHIOCYANATO-2-METHYL-3-NITROBENZENE
Formula: C8H6N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 194.21 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 194.01499861 g/mol
Monoisotopic Mass 194.01499861 g/mol
Topological Polar Surface Area 90.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 245
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