| Melting point |
202-204°C |
| Boiling point |
523.3±50.0 °C(Predicted) |
| Density |
1.454±0.06 g/cm3(Predicted) |
| vapor pressure |
0Pa at 25℃ |
| storage temp. |
Sealed in dry,Store in freezer, under -20°C |
| solubility |
Chloroform (Slightly), DMSO (Slightly) |
| pka |
12.89±0.70(Predicted) |
| form |
White to off-white solid. |
| color |
White to Off-White |
| Water Solubility |
100μg/L at 20℃ |
| InChI |
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) |
| InChIKey |
MLDQJTXFUGDVEO-UHFFFAOYSA-N |
| SMILES |
C1(C(NC)=O)=NC=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C=C2)=C1 |
| LogP |
3.3 at 25℃ |
| CAS DataBase Reference |
284461-73-0(CAS DataBase Reference) |
