| CAS Number | 1610703-69-9 |
| Catalog Number | AG01FOIG(AGN-PC-0WCL8R) |
| Chemical Name | 6-Chloro-9-ethyl-8-iodo-9H-purine |
| IUPAC Name | 6-chloro-9-ethyl-8-iodopurine |
| InChI | InChI=1S/C7H6ClIN4/c1-2-13-6-4(12-7(13)9)5(8)10-3-11-6/h3H,2H2,1H3 |
| InChI Key | GPMPXKNHAQGMNX-UHFFFAOYSA-N |
| MDL Number | MFCD28714457 |
| Molecular Formula | C7H6ClIN4 |
| Molecular Weight | 308.5068 |
| SMILES | ClC1=C2N=C(N(C2=NC=N1)CC)I |
| Synonyms | 6-Chloro-9-ethyl-8-iodo-9H-purine,
1610703-69-9,
SCHEMBL15719168,
GPMPXKNHAQGMNX-UHFFFAOYSA-N,
ZINC220302329,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.507g/mol |
| Monoisotopic Mass | 307.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number