| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B586846-1g |
1g |
现货  |
| |
| B586846-250mg |
250mg |
现货 |
|
| 规格或纯度 | 95% |
|---|---|
| 英文名称 | 2-(3-Bromo-2-chlorophenyl)acetic acid |
| 储存温度 | 2-8°C储存,干燥 |
| 运输条件 | 冰袋运输 |
| IUPAC Name | 2-(3-bromo-2-chlorophenyl)acetic acid |
|---|---|
| INCHI | InChI=1S/C8H6BrClO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12) |
| InChi Key | IEIASDIYIMXQEK-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C(=C1)Br)Cl)CC(=O)O |
| Isomeric SMILES | C1=CC(=C(C(=C1)Br)Cl)CC(=O)O |
| 分子量 | 249.48 |
| Reaxy-Rn | 50027532 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50027532&ln= |
| 分子量 | 249.490 g/mol |
|---|---|
| XLogP3 | 2.700 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 247.924 Da |
| 单同位素质量Monoisotopic Mass | 247.924 Da |
| 拓扑极表面积Topological Polar Surface Area | 37.300 Ų |
| 重原子数Heavy Atom Count | 12 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 174.000 |
| 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 |
| Reaxy-Rn | 50027532 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50027532&ln= |
| Purity(HPLC area) | 95-100（%） |
|---|---|
| NMR Spectrum 1H | Conforms to structure |
| LC-MS for identification | Conforms |
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