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709676-56-2

Name TTK21
CAS 709676-56-2
Molecular Formula C17H15ClF3NO2
MDL Number MFCD34565070
Molecular Weight 357.75
MOL File 709676-56-2.mol

Chemical Properties

Boiling point  369.8±42.0 °C(Predicted)
density  1.321±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 3 mg/ml; DMSO: 5 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 2 mg/ml
form  A crystalline solid
pka 12.22±0.70(Predicted)
color  White to off-white
InChI InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23)
InChIKey AQJBXYBDNZHZRE-UHFFFAOYSA-N
SMILES C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)(=O)C1=CC=CC=C1OCCC

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