MDL | MFCD00266858 |
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InChIKey | DMXJBCHYVUGXEH-UHFFFAOYSA-N |
Inchi | 1S/C8H7BrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11) |
SMILES | BrC1C([H])=C(C([H])=C(C(=O)O[H])C=1[H])OC([H])([H])[H] |
LogP | 2.15590 |
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PSA | 46.53000 |
熔点 | 193-197°C |
精确分子量 | 229.95800 |
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氢键供体数量 | 1 |
氢键受体数量 | 3 |
可旋转化学键数量 | 2 |
重原子数量 | 12 |
复杂度 | 172 |
疏水参数计算参考值(XlogP) | 2.9 |
拓扑分子极性表面积 | 46.5 |
海关编码 | 2918990090 |
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海关数据 |
中国海关编码:2918990090概述:2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% 申报要素:品名, 成分含量, 用途 Summary:2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
PubChemId | 4060048 |
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