HCID22043

Ethyl 4-bromobenzoate

C9H9BrO2229.07 g/molCAS 5798-75-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(Br)cc1
InChIKey: XZIAFENWXIQIKR-UHFFFAOYSA-N
分子式: C9H9BrO2
平均分子量: 229.07 g/mol
单同位素质量: 227.97859

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 151

USES

用途与制造

来源：PubChem

General Manufacturing Information

Benzoic acid, 4-bromo-, ethyl ester: INACTIVE

ALIASES

名称与别名

共 52 条

Ethyl 4-bromobenzoate4-Bromobenzoic Acid Ethyl EsterETHYL P-BROMOBENZOATEBenzoic acid, 4-bromo-, ethyl esterEthyl-4-bromobenzoate4-Carbethoxyphenyl bromide4-Bromobenzoic acid, ethyl esterUNII-58G35541Q14-(Ethoxycarbonyl)-1-bromobenzeneEINECS 227-347-2NSC 67387NSC-67387AI3-1108658G35541Q1DTXSID9064005P-BROMOBENZOIC ACID ETHYL ESTER4-BROMOBENZOIC ACID ETHYL ESTER [MI]RefChem:138756DTXCID5042291227-347-2

REACTIONS

参与反应

111 条

750 AstraZeneca ELN dataset

查看

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05243048

查看

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541457B2

查看

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703082B1

查看

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706699B2

查看

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706699B2

查看

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713462B2

查看

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713462B2

查看