853929-59-6

Name 2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid
CAS 853929-59-6
Molecular Formula C24H16BrFN2O4
MDL Number MFCD12828743
Molecular Weight 495.3
MOL File 853929-59-6.mol
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Chemical Properties

Boiling point  685.9±55.0 °C(Predicted)
density  1.574±0.06 g/cm3(Predicted)
storage temp.  Store at RT
solubility  Soluble to 10 mM in DMSO
form  Powder
pka 3.85±0.30(Predicted)
color  White to yellow
InChI InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)
InChIKey LKBXWNYXDMSFQU-UHFFFAOYSA-N
SMILES O1C2=CC=C(CC(O)=O)C=C2N=C1C1=CC=C(NC(=O)C=CC2=CC=C(Br)C=C2)C(F)=C1

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