结构:CCCC(C)(Br)C(=O)[O-]
HCID22490247

Ethyl-bromoisobutyrate

2-bromo-2-methylpentanoate

C6H10BrO2-194.05 g/mol

IDENTITY

结构与身份

标准 SMILES
CCCC(C)(Br)C(=O)[O-]
InChIKey
YBARNBUFPMPLHH-UHFFFAOYSA-M
分子式
C6H10BrO2-
平均分子量
194.05 g/mol
单同位素质量
192.98642

COMPUTED

结构计算性质

已同步
XLogP
2.7
极性表面积
40.1 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
9
形式电荷
-1
复杂度
108

ALIASES

名称与别名

2
ethyl-bromoisobutyrateYBARNBUFPMPLHH-UHFFFAOYSA-M

REACTIONS

参与反应

18
HRID106160

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 106160 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID166077

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

作为反应物
HRID 166077 方程式

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

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HRID287585

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 287585 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID315421

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 315421 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID952608

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

作为反应物
HRID 952608 方程式

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

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HRID1132310

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

作为反应物
HRID 1132310 方程式

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

查看条件与参与物