| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M123908-250mg |
250mg |
现货  |
| |
| M123908-1g |
1g |
现货 |
|
| 别名 | 2-甲氧基-4,6-二(三氟甲基)苯甲酸 |
|---|---|
| 英文别名 | 2,4-BIS(TRIFLUOROMETHYL)-6-METHOXYBENZOIC ACID | 2,4-Bis(trifluoromethyl)-6-methoxy-benzoic acid | 4,6-ditrifluoromethyl-2-methoxybenzoic acid | CL8099 | 2-(methyloxy)-4,6-bis(trifluoromethyl)benzoic acid | 2-methoxy-4,6-bis(trifluoromethyl)benzoicacid | |
| 规格或纯度 | ≥97% |
| 英文名称 | 6-Methoxy-2,4-bis(trifluoromethyl)benzoic acid |
| 储存温度 | 2-8°C储存,干燥 |
| 运输条件 | 冰袋运输 |
| 纯度 | ≥97% |
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 2-methoxy-4,6-bis(trifluoromethyl)benzoic acid |
| INCHI | 1S/C10H6F6O3/c1-19-6-3-4(9(11,12)13)2-5(10(14,15)16)7(6)8(17)18/h2-3H,1H3,(H,17,18) |
| InChi Key | IIWWKGJYKXFWRG-UHFFFAOYSA-N |
| Smiles | COC1=CC(=CC(=C1C(=O)O)C(F)(F)F)C(F)(F)F |
| Isomeric SMILES | COC1=CC(=CC(=C1C(=O)O)C(F)(F)F)C(F)(F)F |
| 分子量 | 288.14 |
| Reaxy-Rn | 7540042 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7540042&ln= |
| 熔点 | 156-159°C |
|---|---|
| 分子量 | 288.140 g/mol |
| XLogP3 | 3.200 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 288.022 Da |
| 单同位素质量Monoisotopic Mass | 288.022 Da |
| 拓扑极表面积Topological Polar Surface Area | 46.500 Ų |
| 重原子数Heavy Atom Count | 19 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 337.000 |
| 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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