CAS number：13331-27-6 molecular formula：C6H6BNO4
溶于热水，溶于甲醇。 催化炔二羰基化合物的烯碳环化反应。 Reactant involved in:Copper-catalyzed arylation;Palladium-catalyzed decarboxylative coupling;Suzuki-Miyaura cross-coupling;Oxidative carbocyclization / arylation;Addition to arylpropargyl alcohols. Additionally used as a reactant for synthesizing biologically active molecules such as:Inhibitors of angiogenesis;Biaryl-olefins with antiproliferative activities.
| Chinese alias | 间硝基苯硼酸 | ||
| English alias | 3-nitro benzene boronic acid | 3-Nitrobenzeneboronic acid | 3-nitrobenzene-boronic acid | A806593 | AS-2715 | dihydroxy(3-nitrophenyl)borane | 3-Nitrophenylboronic acid, >=97% | AC-5363 | BRN 2938638 | JLC765W4PN | ZNRGSYUVFVNSAW-UHFFFAOYSA-N | 3(nitrophe | ||
| CAS number | 13331-27-6 | molecular formula | C6H6BNO4 |
| molecular weight | 166.93 | Exact mass | ≥97% |
| PSA | 86.3 | logp | - |
| CAS | 13331-27-6 |
| UNII | JLC765W4PN |
| Wikidata | Q27093741 |
| ChEMBL ID | CHEMBL20945 |
| NSC Number | NSC Number: NSC59739 |
| 废弃 CAS | 1024020-75-4 |
| AIDS 编号 | 506411 |
| DrugBank ID | DB02797 |
| PubChem CID | 1677 |
| Nikkaji Number | J54.865K |
| DSSTox Substance ID | DTXSID2065416 |
| Metabolomics Workbench ID | 147352 |
| European Community (EC) Number | 603-734-5 |
| PubChem Reference Collection SID | 505500211 |
| 复杂性 | 169 |
| Exact Mass | 167.0389878 |
| 化学类别 | 硼化合物 |
| 形式电荷 | 0 |
| 重原子计数 | 12 |
| Molecular Weight | 166.93 |
| Monoisotopic Mass | 167.0389878 |
| 可旋转键计数 | 1 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 4 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 86.3 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
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