114601-31-9

Name Cyano temozolomide
CAS 114601-31-9
Molecular Formula C6H4N6O
Molecular Weight 176.14
MOL File 114601-31-9.mol
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Chemical Properties

Boiling point  415.3±37.0 °C(Predicted)
density  1.74±0.1 g/cm3(Predicted)
solubility  Acetone (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol
form  Solid
pka -1.85±0.20(Predicted)
color  Pale Yellow to Pale Brown
InChI InChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3
InChIKey VVSHZIRQNZADET-UHFFFAOYSA-N
SMILES N1(C)C(=O)N2C=NC(C#N)=C2N=N1

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