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23146-05-6 | 1H-Purine-2,6-dione, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-
CAS No: 23146-05-6 Catalog No: AG002MCB MDL No:
Product Description
Catalog Number:
AG002MCB
Chemical Name:
1H-Purine-2,6-dione, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-
CAS Number:
23146-05-6
Molecular Formula:
C9H11BrN4O2
Molecular Weight:
287.1132
IUPAC Name:
7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChI Key:
ZZWGXGHWFOTKNP-UHFFFAOYSA-N
SMILES:
BrCCn1cnc2c1c(=O)n(C)c(=O)n2C
EC Number:
245-454-2
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:
0
Isotope Atom Count:
0
Molecular Weight:
287.117g/mol
Monoisotopic Mass:
286.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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