2924486-45-1

Name Rac1-IN-4
CAS 2924486-45-1
Molecular Formula C23H16ClN5O2
Molecular Weight 429.86
MOL File 2924486-45-1.mol
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Chemical Properties

density  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
form  Solid
pka 12.55±0.70(predicted)
color  Light yellow to yellow
InChI InChI=1S/C23H16ClN5O2/c1-14-8-10-20(31-14)22-27-26-21-11-9-19(28-29(21)22)15-4-3-7-18(13-15)25-23(30)16-5-2-6-17(24)12-16/h2-13H,1H3,(H,25,30)
InChIKey DDIBTZNIAHHIIP-UHFFFAOYSA-N
SMILES CC1=CC=C(O1)C1=NN=C2C=CC(C3C=CC=C(C=3)NC(C3C=CC=C(C=3)Cl)=O)=NN12

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