Identification Chemical Properties Hazard Information Supplier

1801552-01-1

Name THJ2201
CAS 1801552-01-1
Molecular Formula C23H21FN2O
MDL Number MFCD28977556
Molecular Weight 360.42
MOL File 1801552-01-1.mol
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Chemical Properties

Boiling point  546.1±30.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
solubility  DMF: 5 mg/ml; DMSO: 5 mg/ml
form  A crystalline solid
pka -1.14±0.50(Predicted)
InChI InChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2
InChIKey DULWRYKFTVFPTL-UHFFFAOYSA-N
SMILES C(C1C2=C(N(CCCCCF)N=1)C=CC=C2)(C1=C2C(C=CC=C2)=CC=C1)=O

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