4,4'-Diisocyanatodiphenyl ether
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CAS Number 4128-73-8
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Catalog Number io-3243
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Classification Ethers
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Molecular Weight 252.2200
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SMILES C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 4,4'-Oxybis(phenyl isocyanate) |
| 2 | 1,1'-OXYBIS(4-ISOCYANATOBENZENE) |
| 3 | 4,4'-Diisocyanatodiphenyl ether |
| 4 | 1-isocyanato-4-(4-isocyanatophenoxy)benzene |
| 5 | 4,4'-Oxybis(isocyanatobenzene) |
| Molecular Formula | C14H8N2O3 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O |
| Isomeric SMILES | C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O |
| Molecular Weight | 252.2200 |
| InChIKey | KDLIYVDINLSKGR-UHFFFAOYSA-N |
| 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 |
| XLogP | 5.1000 |
| ExactMass | 252.0535 |
| MonoisotopicMass | 252.0535 |
| TPSA | 68.1000 |
| Complexity | 334.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 6036 |
| PatentFamilyCount | 2340 |
| LiteratureCount | 1 |
