| Melting point |
.265°C (dec.) |
| Boiling point |
637.4±65.0 °C(Predicted) |
| Density |
1.439 g/cm3 |
| storage temp. |
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility |
DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| form |
Solid |
| pka |
1.23±0.10(Predicted) |
| color |
White to Off-White |
| InChI |
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) |
| InChIKey |
PYGWGZALEOIKDF-UHFFFAOYSA-N |
| SMILES |
C(#N)C1=CC(C)=C(OC2C(Br)=C(N)N=C(NC3=CC=C(C#N)C=C3)N=2)C(C)=C1 |