| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M173508-500mg |
500mg |
期货  |
|
| 英文别名 | methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate | 1353101-38-8 | MFCD28166300 | SCHEMBL15500846 | CACYLJKHDMPBPG-UHFFFAOYSA-N | DTXSID201175478 | AKOS025291370 | SB58490 | AS-52212 | SY098443 | CS-0048957 | P14591 | methyl6-(trifluoromethyl)pyrimidine-4-carboxylate | Methyl 4-( |
|---|---|
| 规格或纯度 | 97% |
| 英文名称 | methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate |
| 储存温度 | 室温 |
| 运输条件 | 常规运输 |
| IUPAC Name | methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate |
|---|---|
| INCHI | InChI=1S/C7H5F3N2O2/c1-14-6(13)4-2-5(7(8,9)10)12-3-11-4/h2-3H,1H3 |
| InChi Key | CACYLJKHDMPBPG-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC(=NC=N1)C(F)(F)F |
| Isomeric SMILES | COC(=O)C1=CC(=NC=N1)C(F)(F)F |
| PubChem CID | 89990953 |
| 分子量 | 206.124 |
| 分子量 | 206.120 g/mol |
|---|---|
| XLogP3 | 1.300 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 206.03 Da |
| 单同位素质量Monoisotopic Mass | 206.03 Da |
| 拓扑极表面积Topological Polar Surface Area | 52.100 Ų |
| 重原子数Heavy Atom Count | 14 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 219.000 |
| 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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