1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-


Chemical Name: 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-
CAS Number: 93703-24-3
Product Number: AG0038J3(AGN-PC-0K6O23)
Synonyms:
MDL No:
Molecular Formula: C6H5BrN4O2
Molecular Weight: 245.0335

Identification/Properties


Computed Properties
Molecular Weight:
245.036g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
243.96g/mol
Monoisotopic Mass:
243.96g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
271
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

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NMR Spectrum


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