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71793-51-6

71793-51-6 structural image
Product Name: 2-METHOXY-5-NITROPHENYL ISOTHIOCYANATE
Formula: C8H6N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 210.21 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 210.00991323 g/mol
Monoisotopic Mass 210.00991323 g/mol
Topological Polar Surface Area 99.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 260
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