HuagongsheHuagongshe Chemistry Print Report · For research reference only
Akos bbs-00005434
ASISCHEM C58344 · AKOS VGY0014395 · AKOS BBS-00005434 · 9-(2-CHLORO-1-OXOPROPYL)-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE · 1H-CARBAZOLE, 9-(2-CHLORO-1-OXOPROPYL)-2,3,4,9-TETRAHYDRO- · 1-Propanone, 2-chloro-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-
Identifiers & Physical Properties
| CAS No. | 355430-71-6 |
|---|---|
| Molecular formula | C15H16ClNO |
| Average molar mass | 261.74 g/mol |
| Monoisotopic mass | 261.0920418 g/mol |
| SMILES | CC(Cl)C(=O)n1c2c(c3ccccc31)CCCC2 |
| InChIKey | SJXFVNHCKUNGQB-UHFFFAOYSA-N |
| PubChem CID | 3843508 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 22 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 332 |
| Boiling point | 387.2±30.0 °C(Predicted) |
| Density | 1.27±0.1 g/cm3(Predicted) |