| CAS Number | 1044772-72-6 |
| Catalog Number | AG01DM47 |
| Chemical Name | METHYL 2-CHLORO-9H-PURINE-8-CARBOXYLATE |
| IUPAC Name | methyl 2-chloro-7H-purine-8-carboxylate |
| InChI | InChI=1S/C7H5ClN4O2/c1-14-6(13)5-10-3-2-9-7(8)12-4(3)11-5/h2H,1H3,(H,9,10,11,12) |
| InChI Key | VYNIQSARFDPFOJ-UHFFFAOYSA-N |
| MDL Number | MFCD11047205 |
| Molecular Formula | C7H5ClN4O2 |
| Molecular Weight | 212.5932 |
| SMILES | COC(=O)c1nc2c([nH]1)nc(nc2)Cl |
| Synonyms | METHYL 2-CHLORO-9H-PURINE-8-CARBOXYLATE,
1044772-72-6,
ZINC96311508,
FCH1402050,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.593g/mol |
| Monoisotopic Mass | 212.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number