HCID83298

5-Amino-2-nitrobenzoic acid

C7H6N2O4182.13 g/molCAS 13280-60-9

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IDENTITY

结构与身份

标准SMILES: Nc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey: KZZWQCKYLNIOBT-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: 0.8
极性表面积: 109 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 225

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 45 条

5-Amino-2-nitrobenzoic acid13280-60-9Benzoic acid, 5-amino-2-nitro-AI3-52550NSC-74455XF6GS4UH6BDTXSID40157805RefChem:101942DTXCID0080296236-283-42-Nitro-5-aminobenzoic acidMFCD000357485-amino-2-nitro-benzoic acidNSC 744553-Carboxy-4-nitroaniline5-Amino-2-nitrobenzoicacidNSC74455EINECS 236-283-46-Nitro-m-anthranilic acid5-amino-2-nitrobenzoic-acid

REACTIONS

参与反应

17 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 (2/10) · 10.1039/C8SC04228D

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390923B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07189878B2

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09034887B2

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06927303B2

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

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