HCID148312

4-(Chloromethyl)phenyl acetate

[4-(chloromethyl)phenyl] acetate

C9H9ClO2184.62 g/molCAS 39720-27-9

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IDENTITY

结构与身份

标准SMILES: CC(=O)Oc1ccc(CCl)cc1
InChIKey: OKRCXSCDWKJWSW-UHFFFAOYSA-N
分子式: C9H9ClO2
平均分子量: 184.62 g/mol
单同位素质量: 184.0291072

COMPUTED

结构计算性质

等待补全

XLogP: 2.1
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

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 23 条

4-(Chloromethyl)phenyl acetateRefChem:515668628-319-639720-27-9[4-(chloromethyl)phenyl] acetatep-Acetoxybenzyl chloride4-acetoxybenzyl chlorideMFCD00209564SCHEMBL80532CHEMBL226923DTXSID30192806PBA72027EBC-128494-(Chloromethyl)phenyl acetate, 98%AKOS015913348acetic acid 4-chloromethyl-phenyl esterDB-069860NS00124088ST51038356EN300-104049

REACTIONS

参与反应

15 条

uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04342877

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566724B2

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456169B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242984B2

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uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08012979B2

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uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08022062B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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