标识与物理属性
| CAS No. | 1536367-22-2 |
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| 分子式 | C22H16BrNO4 |
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| 平均分子量 | 438.3 g/mol |
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| 单同位素质量 | 437.02627 g/mol |
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| SMILES | O=C(Nc1cc(Br)cc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 |
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| InChIKey | SQCXEGVHJHUWTJ-UHFFFAOYSA-N |
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| PubChem CID | 81557504 |
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| EC No. | 882-989-6 |
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化学与物理性质
| XLogP | 4.8 |
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| 极性表面积 | 75.6 |
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| 氢键供体 | 2 |
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| 氢键受体 | 4 |
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| 可旋转键 | 5 |
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| 重原子 | 28 |
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| 形式电荷 | 0 |
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| 复杂度 | 563 |
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安全与法规
| GHS 分类 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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