| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B354083-1ml |
1ml |
期货  |
|
| 英文别名 | DTXSID9030048 | BDE 99 | 2,2',4,4',5 pentabromodiphenyl ether | 2,2',4,4',5-Pentabromodiphenyl Ether (>80per cent)(Contains ~10per cent 2,2',4,4',5,5'-Hexabromomdip | BDE No 99 | BDE-99 | NCGC00091436-04 | DE 71 | DTXCID404246 | Q412017 | SMR000568490 | N |
|---|---|
| 规格或纯度 | 50 μg/mL in isooctane |
| 英文名称 | BDE No 99 solution |
| 储存温度 | 2-8°C储存 |
| 运输条件 | 冰袋运输 |
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene |
| INCHI | InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H |
| InChi Key | WHPVYXDFIXRKLN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br |
| Isomeric SMILES | C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br |
| PubChem CID | 36159 |
| 分子量 | 564.69 |
| 分子量 | 564.700 g/mol |
|---|---|
| XLogP3 | 6.900 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 1 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 563.622 Da |
| 单同位素质量Monoisotopic Mass | 559.626 Da |
| 拓扑极表面积Topological Polar Surface Area | 9.200 Ų |
| 重原子数Heavy Atom Count | 18 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 277.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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