Identification Chemical Properties Hazard Information Supplier

845647-80-5

Name BF 227
CAS 845647-80-5
Molecular Formula C16H16FN3O2S
MDL Number MFCD31715413
Molecular Weight 333.38
MOL File 845647-80-5.mol

Chemical Properties

Boiling point  502.1±60.0 °C(Predicted)
density  1.336±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 4.73±0.10(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C16H16FN3O2S/c1-20(2)16-18-10-12(23-16)4-6-15-19-13-5-3-11(21-8-7-17)9-14(13)22-15/h3-6,9-10H,7-8H2,1-2H3
InChIKey GSZMUPHKOPBPPS-UHFFFAOYSA-N
SMILES S1C(C=CC2=NC3=CC=C(OCCF)C=C3O2)=CN=C1N(C)C

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