8-bromopurine-2,6-dione


Chemical Name: 8-bromopurine-2,6-dione
CAS Number: 10357-68-3
Product Number: AG0085MA(AGN-PC-094U36)
Synonyms:
MDL No:
Molecular Formula: C5HBrN4O2
Molecular Weight: 228.9910

Identification/Properties


Computed Properties
Molecular Weight:
231.01g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
229.94394g/mol
Monoisotopic Mass:
229.94394g/mol
Topological Polar Surface Area:
86.9Ų
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
246
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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