HCID17750019

Methyl 3-bromo-4-iodobenzoate

C8H6BrIO2340.94 g/molCAS 249647-24-3

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(I)c(Br)c1
InChIKey: OIMBMPVAESWCEA-UHFFFAOYSA-N
分子式: C8H6BrIO2
平均分子量: 340.94 g/mol
单同位素质量: 339.85959

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 174

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 22 条

methyl 3-bromo-4-iodobenzoate249647-24-3DTXSID60590174RefChem:354896DTXCID20540938816-558-03-Bromo-4-iodobenzoic acid methyl esterBenzoic acid, 3-bromo-4-iodo-, methyl esterMFCD07778512methyl 3-bromo-4-iodo-benzoate3-Bromo-4-iodo-benzoic acid methyl esterMethyl3-bromo-4-iodobenzoateSCHEMBL544486OIMBMPVAESWCEA-UHFFFAOYSA-NAKOS005215968Methyl 3-bromo-4-iodobenzoate, 97%CS-W014281DS-15897SY029061DB-011597

REACTIONS

参与反应

17 条

750 AstraZeneca ELN dataset

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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 (3/10) · 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-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07141596B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07141596B2

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

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552201B2

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