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66090-36-6

66090-36-6 structural image
Product Name: 3-CHLOROBENZOYL ISOTHIOCYANATE
Formula: C8H4ClNOS
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COMPUTED DESCRIPTORS

Molecular Weight 197.64 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 196.9702126 g/mol
Monoisotopic Mass 196.9702126 g/mol
Topological Polar Surface Area 61.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 225
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