4921-49-7
Product Name:
8-chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Formula:
C8H9ClN4O2
Synonyms:
8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;8-Chlorocaffeine;NSC 6277
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 228.63 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.0414032 g/mol |
| Monoisotopic Mass | 228.0414032 g/mol |
| Topological Polar Surface Area | 58.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 324 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |