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101071-97-0 | 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-propyl-
CAS No: 101071-97-0 Catalog No: AG0003N5 MDL No:
Product Description
Catalog Number:
AG0003N5
Chemical Name:
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-propyl-
CAS Number:
101071-97-0
Molecular Formula:
C9H11BrN4O2
Molecular Weight:
287.1132
IUPAC Name:
8-bromo-3-methyl-7-propylpurine-2,6-dione
InChI:
InChI=1S/C9H11BrN4O2/c1-3-4-14-5-6(11-8(14)10)13(2)9(16)12-7(5)15/h3-4H2,1-2H3,(H,12,15,16)
InChI Key:
VGFFHBADFGHZQK-UHFFFAOYSA-N
SMILES:
CCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.117g/mol
Monoisotopic Mass:
286.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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