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926249-80-1

926249-80-1 structural image
Product Name: 3,4-difluorobenzoyl isothiocyanate
Formula: C8H3F2NOS
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COMPUTED DESCRIPTORS

Molecular Weight 199.18 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 198.99034122 g/mol
Monoisotopic Mass 198.99034122 g/mol
Topological Polar Surface Area 61.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 253
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