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52107-68-3

52107-68-3 structural image
Product Name: 5-iodo-2-methylbenzenecarbonitrile
Formula: C8H6IN
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COMPUTED DESCRIPTORS

Molecular Weight 243.04 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 242.95450 g/mol
Monoisotopic Mass 242.95450 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 158
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