HuagongsheHuagongshe Chemistry Print Report · For research reference only
Carbazic acid, 3-(p-chloro-alpha-methylbenzyl)-, ethyl ester
3-(p-Chloro-α-methylbenzyl)carbazic acid ethyl ester · Hydrazinecarboxylic acid, 2-[1-(4-chlorophenyl)ethyl]-, ethyl ester

Identifiers & Physical Properties
| CAS No. | 69353-13-5 |
|---|---|
| Molecular formula | C11H15ClN2O2 |
| Average molar mass | 242.7 g/mol |
| Monoisotopic mass | 242.0822054 g/mol |
| SMILES | CCOC(=O)NNC(C)c1ccc(Cl)cc1 |
| InChIKey | FUDNZWLAFXGUSR-UHFFFAOYSA-N |
| PubChem CID | 50413 |
| DTXSID | DTXSID10989099 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 50.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 218 |
| Melting point | 86-88 °C(Solv: ethanol, 50% (64-17-5)) |
| Density | 1.180±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.31±0.43(Predicted) |