HCID2758844

Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate

C11H11FO3210.2 g/molCAS 1999-00-4

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(=O)c1ccc(F)cc1
InChIKey: SJUXLKYJKQBZLM-UHFFFAOYSA-N
分子式: C11H11FO3
平均分子量: 210.2 g/mol
单同位素质量: 210.06922237

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 15
形式电荷: 0
复杂度: 232

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 52 条

Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate1999-00-4DTXSID20374518RefChem:594684DTXCID00325548606-415-9Ethyl 4-fluorobenzoylacetateEthyl (4-fluorobenzoyl)acetate4-Fluorobenzoylacetic acid ethyl esterMFCD03093631BENZENEPROPANOIC ACID, 4-FLUORO-BETA-OXO-, ETHYL ESTERethyl 3-(4-fluorophenyl)-3-oxo-propanoateETHYL (P-FLUOROBENZOYL)ACETATECHEMBL5287002ETHYL 3-(4-FLUOROPHENYL)-3-OXOPROPIONATEETHYL 3-(4'-FLUOROPHENYL)-3-OXOPROPANOATEETHYL 4'-FLUOROBENZOYLACETATE(P-FLUOROBENZOYL)ACETIC ACID ETHYL ESTER(4-Fluorobenzoyl)acetic Acid Ethyl Ester3-(4-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

REACTIONS

参与反应

97 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091206B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536338B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536338B2

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uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04613610

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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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