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5400-81-7

5400-81-7 structural image
Product Name: ETHYL 4-AMINO-3,5-DIIODOBENZOATE
Formula: C9H9I2NO2
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COMPUTED DESCRIPTORS

Molecular Weight 416.98 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 416.87227 g/mol
Monoisotopic Mass 416.87227 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 201
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