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46112-47-4

46112-47-4 structural image
Product Name: Benzoic acid, 4-isocyanato-
Formula: C8H5NO3
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COMPUTED DESCRIPTORS

Molecular Weight 163.13 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 163.026943022 g/mol
Monoisotopic Mass 163.026943022 g/mol
Topological Polar Surface Area 66.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 212
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