| Melting point |
158-162 °C (dec.) (lit.) |
| Boiling point |
614.8±65.0 °C(Predicted) |
| Density |
2.03±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
DMSO (Sparingly, Heated), Methanol (Slightly, Heated), Water (Slightly, Heated, |
| pka |
13.06±0.70(Predicted) |
| form |
Powder |
| color |
White to slightly yellow |
| Water Solubility |
Soluble in water. (10.6 mg/mL) |
| BRN |
40573 |
| InChI |
InChI=1/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/s3 |
| InChIKey |
XHRJGHCQQPETRH-HMEJCUHCSA-N |
| SMILES |
OC[C@H]1O[C@@H](N2C3=C(C(Cl)=NC=N3)N=C2)[C@H](O)[C@@H]1O |&1:2,4,15,17,r| |
| CAS DataBase Reference |
5399-87-1(CAS DataBase Reference) |
| UNSPSC Code |
41106305 |
| NACRES |
NA.22 |
