Identification Chemical Properties Supplier

2097262-58-1

Name Benzonitrile, 4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]-3-azetidinyl]-
CAS 2097262-58-1
Molecular Formula C25H23F3N4O2
MDL Number MFCD32062789
Molecular Weight 468.47
MOL File 2097262-58-1.mol
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Chemical Properties

Boiling point  665.7±55.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
form  Solid
pka 9.61±0.10(Predicted)
color  White to off-white
InChI InChI=1S/C25H23F3N4O2/c1-14-8-15(2)20(9-19(14)22-21(13-34-3)30-24(31-22)25(26,27)28)23(33)32-11-18(12-32)17-6-4-16(10-29)5-7-17/h4-9,18H,11-13H2,1-3H3,(H,30,31)
InChIKey YFEOVRCUSPPGFZ-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(C2CN(C(=O)C3=CC(C4=C(COC)NC(C(F)(F)F)=N4)=C(C)C=C3C)C2)C=C1

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