2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid
- Product Name2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleaceticacid
- CAS853929-59-6
- MFC24H16BrFN2O4
- MW495.3
- EINECS
- MOL File853929-59-6.mol
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 |