| Melting point |
151.5°C |
| Boiling point |
565.5±50.0 °C(Predicted) |
| Density |
1.2387 (rough estimate) |
| refractive index |
1.6000 (estimate) |
| RTECS |
NL3521400 |
| storage temp. |
Sealed in dry,Store in freezer, under -20°C |
| solubility |
Practically insoluble in water, soluble in acetone, slightly soluble in anhydrous ethanol. |
| form |
Solid |
| pka |
2.60±0.10(Predicted) |
| color |
Very fine, pale-yellow crystals from pet eth |
| Merck |
14,27 |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) |
| InChIKey |
FSQKKOOTNAMONP-UHFFFAOYSA-N |
| SMILES |
N1(C(=O)C2=CC=C(Cl)C=C2)C2=C(C=C(OC)C=C2)C(CC(OCC(O)=O)=O)=C1C |
| CAS DataBase Reference |
53164-05-9(CAS DataBase Reference) |
