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98027-95-3 | 2,6-Diiodo-7H-purine
CAS No: 98027-95-3 Catalog No: AG006AC5 MDL No:MFCD11519302
Product Description
Catalog Number:
AG006AC5
Chemical Name:
2,6-Diiodo-7H-purine
CAS Number:
98027-95-3
Molecular Formula:
C5H2I2N4
Molecular Weight:
371.9051
MDL Number:
MFCD11519302
IUPAC Name:
2,6-diiodo-7H-purine
InChI:
InChI=1S/C5H2I2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChI Key:
HNCFPTJMAVGCEI-UHFFFAOYSA-N
SMILES:
Ic1nc(I)c2c(n1)nc[nH]2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.837g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.908g/mol
Monoisotopic Mass:
371.837g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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