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4461-34-1

4461-34-1 structural image
Product Name: 2-Chlorobenzoyl isocyanate
Formula: C8H4ClNO2
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COMPUTED DESCRIPTORS

Molecular Weight 181.57 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 180.9930561 g/mol
Monoisotopic Mass 180.9930561 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 223
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