| Boiling point |
475.3±45.0 °C(Predicted) |
| Density |
1.46±0.1 g/cm3(Predicted) |
| storage temp. |
Store at -20°C |
| solubility |
DMSO : 100 mg/mL (252.68 mM);Water : < 0.1 mg/mL (insoluble) |
| pka |
5.43±0.60(Predicted) |
| form |
Solid |
| color |
Light yellow to yellow |
| InChI |
1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1 |
| InChIKey |
FVNJBPMQWSIGJK-HNNXBMFYSA-N |
| SMILES |
CC1=C(C(OC)=O)[C@H](C2=C(Cl)C=C(F)C=C2)N=C(C3=NC=C(F)C=C3F)N1 |
