HCID611325

5,6-Dinitro-1,3-benzodioxole

C7H4N2O6212.12 g/mol

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCO2
InChIKey: KAKKXKBQUBETST-UHFFFAOYSA-N
分子式: C7H4N2O6
平均分子量: 212.12 g/mol
单同位素质量: 212.00693585

COMPUTED

结构计算性质

等待补全

XLogP: 1.4
极性表面积: 110 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 0
重原子: 15
形式电荷: 0
复杂度: 256

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 21 条

5,6-Dinitro-1,3-benzodioxole7748-59-61,2-DINITRO-4,5-METHYLENEDIOXYBENZENE5,6-dinitro-2H-1,3-benzodioxole1,3-Benzodioxole, 5,6-dinitro-5,6-dinitrobenzo[d][1,3]dioxoleMFCD049735961,2-Methylenedioxy-4,5-dinitrobenzeneSCHEMBL718255CHEMBL19649625,6-Dinitro-1,3-benzodioxole #BBL003586STK508240AKOS0034048104,5-methylenedioxy-1,2-dinitrobenzeneAS-8323NCGC00186317-01DB-311410CS-0313417E79813

REACTIONS

参与反应

34 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09040556B2

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uspto-grants-1988_06 · 10.6084/m9.figshare.5104873.v1 · US04749379

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uspto-grants-1988_06 · 10.6084/m9.figshare.5104873.v1 · US04749379

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uspto-grants-1988_06 · 10.6084/m9.figshare.5104873.v1 · US04749379

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