| CAS Number | 18552-88-0 |
| Catalog Number | AG01DZ55(AGN-PC-0O5F71) |
| Chemical Name | 2-Chloro-6-Iodo-9H-Purine |
| IUPAC Name | 2-chloro-6-iodo-7H-purine |
| InChI | InChI=1S/C5H2ClIN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11) |
| InChI Key | HCRLJEBMLJCCRJ-UHFFFAOYSA-N |
| MDL Number | MFCD28667894 |
| Molecular Formula | C5H2ClIN4 |
| Molecular Weight | 280.4537 |
| SMILES | ClC1=NC(=C2N=CNC2=N1)I |
| Synonyms | 2-Chloro-6-iodo-9H-purine,
18552-88-0,
2-chloro-6-iodopurine,
SCHEMBL5935894,
9H-Purine, 2-chloro-6-iodo-,
2-chloro-6-iodo-7H-purine,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.453g/mol |
| Monoisotopic Mass | 279.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number