287964-59-4

Name Cyanotemozolomide
CAS 287964-59-4
Molecular Formula C6H4N6O
MDL Number MFCD09263700
Molecular Weight 176.14
MOL File 287964-59-4.mol

Chemical Properties

Boiling point  704.2±52.0 °C(Predicted)
density  2.38±0.1 g/cm3(Predicted)
pka 14.41±0.20(Predicted)
InChI InChI=1S/C6H4N6O4/c7-3(13)2-4-9-10-5(12(15)16)6(14)11(4)1-8-2/h1,9H,(H2,7,13)
InChIKey UPMXYTFKFBVAEM-UHFFFAOYSA-N
SMILES N1=C([N+]([O-])=O)C(=O)N2C=NC(C(N)=O)=C2N1

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