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25314-95-8

25314-95-8 structural image
Product Name: 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Formula: C9H11ClN4O2
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COMPUTED DESCRIPTORS

Molecular Weight 242.66 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 242.0570533 g/mol
Monoisotopic Mass 242.0570533 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 338
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