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| IUPAC Name: | 1-isocyanato-4-(4-isocyanatophenoxy)benzene |
| Description: | 4,4'-Oxybis(phenyl isocyanate) (CAS# 4128-73-8) is a reagent used in the synthesis of lipid-conjugated Smac analogs with antitumor activity against human breast cancer cell lines.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list. |
| Molecular Weight: | 252.22 |
| Molecular Formula: | C14H8N2O3 |
| Canonical SMILES: | C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O |
| InChI: | InChI=1S/C14H8N2O3/c17-9-15-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)16-10-18/h1-8H |
| InChI Key: | KDLIYVDINLSKGR-UHFFFAOYSA-N |
| Boiling Point: | 196 ℃ / 5 mmHg (lit.) |
| Appearance: | White crystalline solid |
| MDL: | MFCD00216648 |
| LogP: | 3.41350 |
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