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64411-72-9

64411-72-9 structural image
Product Name: 5-CHLORO-2-ISOCYANATOBENZONITRILE
Formula: C8H3ClN2O
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COMPUTED DESCRIPTORS

Molecular Weight 178.57 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 177.9933904 g/mol
Monoisotopic Mass 177.9933904 g/mol
Topological Polar Surface Area 53.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 251
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