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40046-27-3

40046-27-3 structural image
Product Name: 5-CHLORO-2,4-DIMETHOXYPHENYL ISOTHIOCYANATE
Formula: C9H8ClNO2S
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COMPUTED DESCRIPTORS

Molecular Weight 229.68 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 228.9964274 g/mol
Monoisotopic Mass 228.9964274 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 233
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