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68913-66-6

68913-66-6 structural image
Product Name: 4,6-DIAMINO-2-(CHLOROMETHYL)-2,3-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBONITRILE
Formula: C9H9ClN4O
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COMPUTED DESCRIPTORS

Molecular Weight 224.65 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 224.0464886 g/mol
Monoisotopic Mass 224.0464886 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 291
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes