HCID181248

3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C8H10Br2O2297.97 g/molCAS 59952-39-5

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IDENTITY

结构与身份

标准SMILES: CC1(C)C(C=C(Br)Br)C1C(=O)O
InChIKey: MDIQXIJPQWLFSD-UHFFFAOYSA-N
分子式: C8H10Br2O2
平均分子量: 297.97 g/mol
单同位素质量: 295.90475

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 241

PHARMACOLOGY

药理信息

Metabolism/Metabolites

3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has known human metabolites that include (2S,3S,4S,5R)-6-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

ALIASES

名称与别名

共 26 条

3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acidDBCA acidDDPC acidRefChem:39356959952-39-53-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid1S-cis-Decamethrinic Acid72691-18-0C8H10Br2O2cis-Dibromocypermethric acidDeltamethrin Impurity 1 (Mixture of Diastereomers)SCHEMBL3380031(1R-cis)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane carboxylic acidDTXSID10975376MDIQXIJPQWLFSD-UHFFFAOYSA-N3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-DB-164653NS00116137

REACTIONS

相关反应

17 条

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04130657

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

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uspto-grants-1983_12 · 10.6084/m9.figshare.5104873.v1 · US04419524

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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 (5/10) · 10.1039/C8SC04228D

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