| Melting point |
220-222oC |
| Boiling point |
591.7±50.0 °C(Predicted) |
| Density |
1.45±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C Freezer |
| solubility |
DMSO: soluble; Methanol: very slightly soluble, heated |
| form |
A solid |
| pka |
12.89±0.70(Predicted) |
| color |
white to off-white |
| biological source |
synthetic |
| Major Application |
clinical research
general analytical
life science and biopharma
metabolomics |
| InChI |
1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31) |
| InChIKey |
BQAZCCVUZDIZDC-UHFFFAOYSA-N |
| SMILES |
CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-] |
