199596-24-2

Name JIB-04 (NSC 693627) -Z
CAS 199596-24-2
Molecular Formula C17H13ClN4
Molecular Weight 308.76
MOL File 199596-24-2.mol
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Chemical Properties

Boiling point  472.9±55.0 °C(Predicted)
density  1.24±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 6 mg/mL (19.43 mM)
form  Solid
pka 11.00±0.10(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17-
InChIKey YHHFKWKMXWRVTJ-XLNRJJMWSA-N
SMILES C(=N/NC1=NC=C(Cl)C=C1)(\C1=CC=CC=C1)/C1=NC=CC=C1

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