HCID602665

6-Nitro-1,3-benzodioxol-5-amine

C7H6N2O4182.13 g/molCAS 64993-07-3

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IDENTITY

结构与身份

标准SMILES: Nc1cc2c(cc1[N+](=O)[O-])OCO2
InChIKey: TXZJXBGDLONQGP-UHFFFAOYSA-N
分子式: C7H6N2O4
平均分子量: 182.13 g/mol
单同位素质量: 182.03275668

COMPUTED

结构计算性质

等待补全

XLogP: 1.4
极性表面积: 90.3 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 217

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 42 条

6-Nitro-1,3-benzodioxol-5-amine64993-07-3DTXSID20345208RefChem:309147DTXCID802962826-nitro-2H-1,3-benzodioxol-5-amine6-nitrobenzo[d][1,3]dioxol-5-amineMFCD00184722(6-Nitro-1,3-benzodioxol-5-yl)amine5-amino-6-nitro-1,3-benzodioxoleMLS000416366SMR000264114F0239-0652Oprea1_632288cid_602665SCHEMBL1625389CHEMBL1320367SCHEMBL30581427BDBM50440CHEBI:105721

REACTIONS

参与反应

18 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07141580B2

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04599347

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07148234B2

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