HCID58095966

Tert-butyl 3-bromo-5-formylbenzoate

C12H13BrO3285.13 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)c1cc(Br)cc(C=O)c1
InChIKey: WJYXOHSLYSXYCL-UHFFFAOYSA-N
分子式: C12H13BrO3
平均分子量: 285.13 g/mol
单同位素质量: 284.00481

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 270

ALIASES

名称与别名

共 8 条

tert-butyl 3-bromo-5-formylbenzoate1018948-99-6MFCD22543863T-BUTYL-3-BROMO-5-FORMYLBENZOATESCHEMBL1071269WJYXOHSLYSXYCL-UHFFFAOYSA-Ntert-butyl3-bromo-5-formylbenzoateDA-16305

REACTIONS

参与反应

11 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 (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247401B2

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247401B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461185B2

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