HCID58891824

Methyl 3-amino-6-bromo-2-nitrobenzoate

C8H7BrN2O4275.06 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1c(Br)ccc(N)c1[N+](=O)[O-]
InChIKey: DCDLZEKAQLUDLK-UHFFFAOYSA-N
分子式: C8H7BrN2O4
平均分子量: 275.06 g/mol
单同位素质量: 273.95892

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 98.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 268

ALIASES

名称与别名

共 6 条

Methyl 3-amino-6-bromo-2-nitrobenzoate810696-49-2SCHEMBL1918262DCDLZEKAQLUDLK-UHFFFAOYSA-NMethyl3-amino-6-bromo-2-nitrobenzoate3-Amino-6-bromo-2-nitro-benzoic acid methyl ester

REACTIONS

参与反应

12 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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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193187B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193187B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975256B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975256B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551991B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551991B2

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