4-Bromophenyl phenyl ether
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CAS Number 101-55-3
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Catalog Number io-1853
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Classification Aryl Halides
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Molecular Weight 249.1000
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SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
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4-bromophenyl phenyl ether is an aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. It is an aromatic ether and an organobromine compound. It is functionally related to a diphenyl ether.
| 1 | 1-Bromo-4-phenoxybenzene |
| 2 | 4-Bromodiphenyl ether |
| 3 | 4-Bromophenyl phenyl ether |
| 4 | 4-Bromophenoxybenzene |
| 5 | Benzene, 1-bromo-4-phenoxy- |
| Molecular Formula | C12H9BrO |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
| Isomeric SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
| Molecular Weight | 249.1000 |
| InChIKey | JDUYPUMQALQRCN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H |
| XLogP | 4.4000 |
| ExactMass | 247.9837 |
| MonoisotopicMass | 247.9837 |
| TPSA | 9.2000 |
| Complexity | 158.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1555 |
| PatentFamilyCount | 580 |
| LiteratureCount | 129 |
