反应SMILES:CCOC(=O)C(F)(F)c1cccc(OC)c1
HCID39058305

Ethyl Difluoro-(3-methoxyphenyl)acetate

ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate

C11H12F2O3230.21 g/molCAS 915133-57-2

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C(F)(F)c1cccc(OC)c1
InChIKey
YPPCAEMLMPUOIM-UHFFFAOYSA-N
分子式
C11H12F2O3
平均分子量
230.21 g/mol
单同位素质量
230.07545056

COMPUTED

结构计算性质

已同步
XLogP
2.8
极性表面积
35.5 Ų
氢键供体
0
氢键受体
5
可旋转键
5
重原子
16
形式电荷
0
复杂度
243

ALIASES

名称与别名

共 12 条
915133-57-2Ethyl Difluoro-(3-methoxyphenyl)acetateEthyl difluoro(3-methoxyphenyl)acetateethyl 2,2-difluoro-2-(3-methoxyphenyl)acetateEthyl-2,2-difluoro-2-(3-methoxyphenyl) acetateethyl-2,2-difluoro-2-(3-methoxyphenyl)acetateSCHEMBL2011761DTXSID70653441AKOS011681235EthylDifluoro-(3-methoxyphenyl)acetateF035979Ethyl difluoro-(3-methoxyphenyl)acetate, stabilized over potassium carbonate

REACTIONS

参与反应

3
HRID106335

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

作为反应物
HRID 106335 方程式

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

查看
HRID885553

uspto-grants-2012_08

作为反应物
HRID 885553 方程式

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08242177B2

查看
HRID1966650

uspto-grants-2013_04

作为反应物
HRID 1966650 方程式

uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08420669B2

查看