Melting point |
167 °C |
Boiling point |
500.1±60.0 °C(Predicted) |
Density |
1.82±0.1 g/cm3(Predicted) |
refractive index |
80 ° (C=1, MeOH) |
storage temp. |
Keep in dark place,Sealed in dry,2-8°C |
solubility |
Soluble in DMSO, Methanol. |
pka |
12.84±0.70(Predicted) |
form |
Powder |
color |
White to Off-white |
Water Solubility |
Water: 5 mg/mL (20.39 mM; ultrasonic and warming and heat to 60°C) |
InChI |
InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
InChIKey |
NVZFZMCNALTPBY-XVFCMESISA-N |
SMILES |
OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](F)[C@@H]1O |
CAS DataBase Reference |
10212-20-1(CAS DataBase Reference) |