HCID11341

1-Bromo-2-nitrobenzene

C6H4BrNO2202.01 g/molCAS 577-19-5

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1ccccc1Br
InChIKey: ORPVVAKYSXQCJI-UHFFFAOYSA-N
分子式: C6H4BrNO2
平均分子量: 202.01 g/mol
单同位素质量: 200.94254

COMPUTED

结构计算性质

等待补全

XLogP: 2.5
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 134

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 65 条

1-Bromo-2-nitrobenzene577-19-52-BromonitrobenzeneO-BROMONITROBENZENEo-Nitrobromobenzene2-NitrobromobenzeneBenzene, 1-bromo-2-nitro-NSC-403836QP2NF456XVDTXSID9060364RefChem:855210DTXCID4042252209-409-02-bromo-1-nitrobenzene1-bromo-2-nitro-benzeneo-Nitrophenyl bromide1-Bromo-2-nitrobenzeMFCD00007045NSC 403836ortho-bromonitrobenzene

REACTIONS

参与反应

133 条

750 AstraZeneca ELN dataset

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726319

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uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05411980

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uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04128588

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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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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 (9/10) · 10.1039/C8SC04228D

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