HCID17252219

5-((3-Bromophenylamino)methylene)-2,2-di-methyl-1,3-dioxane-4,6-dione

5-[(3-bromoanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C13H12BrNO4326.14 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)OC(=O)C(=CNc2cccc(Br)c2)C(=O)O1
InChIKey: GBOITXKUBJEVEA-UHFFFAOYSA-N
分子式: C13H12BrNO4
平均分子量: 326.14 g/mol
单同位素质量: 324.99497

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 64.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 397

ALIASES

名称与别名

共 8 条

723280-91-95-[(3-bromophenylamino)methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dioneSCHEMBL2369281GBOITXKUBJEVEA-UHFFFAOYSA-N5-((3-bromophenylamino)methylene)-2,2-di-methyl-1,3-dioxane-4,6-dioneAKOS003557096DB-2190465-(((3-Bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

REACTIONS