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83135-13-1 | 9H-Purine, 6-iodo-9-(phenylmethyl)-
CAS No: 83135-13-1 Catalog No: AG004W0G MDL No:
Product Description
Catalog Number:
AG004W0G
Chemical Name:
9H-Purine, 6-iodo-9-(phenylmethyl)-
CAS Number:
83135-13-1
Molecular Formula:
C12H9IN4
Molecular Weight:
336.1311
IUPAC Name:
9-benzyl-6-iodopurine
InChI:
InChI=1S/C12H9IN4/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
QRWQLCUEMMKASG-UHFFFAOYSA-N
SMILES:
Ic1ncnc2c1ncn2Cc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.136g/mol
Monoisotopic Mass:
335.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 6-Magnesiated purines: preparation and reaction with aldehydes. | Organic letters 20031113 |
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