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685106-65-4

685106-65-4 structural image
Product Name: 4-(1,3-BENZODIOXOL-5-YL)-2-PYRIMIDINAMINE
Formula: C11H9N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 215.21 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 215.069476538 g/mol
Monoisotopic Mass 215.069476538 g/mol
Topological Polar Surface Area 70.3 Ų
Heavy Atom Count 16
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