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1782070-21-6

Name Benzoic acid, 3-[[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]thio]-2-fluoro-
CAS 1782070-21-6
Molecular Formula C21H15Cl2F2N3O2S
Molecular Weight 482.33
MOL File 1782070-21-6.mol
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Chemical Properties

Boiling point  537.4±50.0 °C(Predicted)
density  1.52±0.1 g/cm3(Predicted)
solubility  DMSO: Soluble
form  Solid
pka 2.90±0.10(Predicted)
color  White to off-white
InChI InChI=1S/C21H15Cl2F2N3O2S/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30/h3-7,9-10H,2,8H2,1H3,(H,29,30)
InChIKey NMDFAQXLJQRHMS-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(SC2C3=C(N(C4=CN(CCC)N=C4)C=2Cl)C(F)=C(Cl)C=C3)=C1F

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