| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I139379-250mg |
250mg |
期货  |
|
| 英文别名 | A862603 | MFCD08689517 | 4-(3-Isopropylureido)phenylboronic acid, pinacol ester | 3-(propan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea | urea,N-(1-methylethy)-N-(4-(4,4,5,5,-Tetramethyl-1,3,2-dioxaborolan-2-yl)pheny) | DTXSID50657 |
|---|---|
| 规格或纯度 | ≥98% |
| 英文名称 | 4-(3-Isopropylureido)benzeneboronic acid pinacol ester, 98% |
| 运输条件 | 常规运输 |
| IUPAC Name | 1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
|---|---|
| INCHI | InChI=1S/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20) |
| InChi Key | GMMSXWMQBQDLFH-UHFFFAOYSA-N |
| Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC(C)C |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC(C)C |
| PubChem CID | 44119376 |
| 分子量 | 304.2 |
| 分子量 | 304.200 g/mol |
|---|---|
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 304.196 Da |
| 单同位素质量Monoisotopic Mass | 304.196 Da |
| 拓扑极表面积Topological Polar Surface Area | 59.600 Ų |
| 重原子数Heavy Atom Count | 22 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 388.000 |
| 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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