HCID20544759

6,7-Dibromo-8-nitro-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid

6,7-dibromo-5-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid

C9H5Br2NO6382.95 g/molCAS 66411-18-5

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1c(Br)c(Br)c([N+](=O)[O-])c2c1OCCO2
InChIKey: MVYGNUFUGOZHQE-UHFFFAOYSA-N
分子式: C9H5Br2NO6
平均分子量: 382.95 g/mol
单同位素质量: 380.84836

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 102 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 1
重原子: 18
形式电荷: 0
复杂度: 361

ALIASES

名称与别名

共 16 条

66411-18-56,7-dibromo-8-nitro-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid6,7-dibromo-8-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid6,7-dibromo-5-nitro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid6,7-Dibromo-8-nitro-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylic acid6,7-DIBROMO-8-NITRO-2,3-DIHYDROBENZO[1,4]DIOXINE-5-CARBOXYLIC ACIDSCHEMBL11260686DTXSID50608550MVYGNUFUGOZHQE-UHFFFAOYSA-NRCA41118AKOS015916991MB07155EN300-721066,7-dibromo-8-nitro-1,4-benzodioxane-5-carboxylic acid6,7-dibromo-8-nitro-1,4-benzodio-xane-5-carboxylic acid6,7-dibromo-8-nitro-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylicacid

REACTIONS