識別子と物理属性
| CAS No. | 97925-92-3 |
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| 分子式 | C18H18N2O5S |
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| 平均分子量 | 374.4 g/mol |
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| 単同位体質量 | 374.09364285 g/mol |
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| SMILES | Nc1ccccc1.O=S(=O)(O)c1ccccc1.O=[N+]([O-])c1ccccc1 |
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| InChIKey | HJNZLDQROKPOQN-UHFFFAOYSA-N |
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| PubChem CID | 175776 |
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| EC No. | 308-204-4 |
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化学・物理的性質
| 極性表面積 | 135 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 6 |
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| 回転可能結合数 | 1 |
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| 重原子数 | 26 |
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| 形式電荷 | 0 |
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| 複雑度 | 332 |
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| UVCB | UVCB -> EPA TSCA |
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安全性と法規制
| 規制情報 | Benzenesulfonic acid, mono-C10-14-alkyl derivs., compds. with neutralized aniline-nitrobenzene reaction products: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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