| InChIKey | YIICVSCAKJMMDJ-JTQLQIEISA-N |
| Inchi | InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1 |
| SMILES | O[C@H]1CCN2C1=NC3=C(C=CC=C3)C2 |
| LogP | 0.67030 |
| PSA | 35.83000 |
| 折射率 | 1.5850 (estimate) |
| 沸点 | 323.23°C (rough estimate) |
| 熔点 | 211.5°C |
| 颜色与性状 | Powder |
| 密度 | 1.1124 (rough estimate) |
| 精确分子量 | 188.09500 |
| 氢键供体数量 | 1 |
| 氢键受体数量 | 3 |
| 可旋转化学键数量 | 0 |
| 同位素质量 | 188.094963011 g/mol |
| 重原子数量 | 14 |
| 复杂度 | 264 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 1 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 0.4 |
| 拓扑分子极性表面积 | 35.8Ų |
| 分子量 | 188.23 |
| 海关编码 | 2933990090 |
| 海关数据 |
中国海关编码：2933990090概述：2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0% 申报要素：品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 Summary：2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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SMILES
O[C@@H]1C2N(CC1)CC3C(=CC=CC=3)N=2
![7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol](https://scimg.chem960.com/cas/0/103518-86-1.png "103518-86-1 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol")
