6H-Purin-6-one, 2-amino-8-bromo-1,7-dihydro-


Chemical Name: 6H-Purin-6-one, 2-amino-8-bromo-1,7-dihydro-
CAS Number: 3066-84-0
Product Number: AG0030SI(AGN-PC-0O8RNS)
Synonyms:
MDL No:
Molecular Formula: C5H4BrN5O
Molecular Weight: 230.0222

Identification/Properties


Computed Properties
Molecular Weight:
230.025g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
228.96g/mol
Monoisotopic Mass:
228.96g/mol
Topological Polar Surface Area:
96.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
254
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:
Danger
UN#:
2811
Hazard Statements:
H301-H317
Precautionary Statements:
P280-P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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