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1805017-54-2

1805017-54-2 structural image
Product Name: Methyl 5-bromo-3-cyano-2-iodobenzoate
Formula: C9H5BrINO2
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COMPUTED DESCRIPTORS

Molecular Weight 365.95 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 364.85484 g/mol
Monoisotopic Mass 364.85484 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 275
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