HCID148012

Oxirane, 2-((4-chlorophenyl)methyl)-

2-[(4-chlorophenyl)methyl]oxirane

C9H9ClO168.62 g/molCAS 36519-91-2

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IDENTITY

结构与身份

标准SMILES: Clc1ccc(CC2CO2)cc1
InChIKey: ZPEVFFRSZBVWGB-UHFFFAOYSA-N
分子式: C9H9ClO
平均分子量: 168.62 g/mol
单同位素质量: 168.0341926

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 12.5 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 130

ALIASES

名称与别名

共 18 条

36519-91-2p-Chlorophenylpropylene oxide4-Allylchlorobenzene oxideCCRIS 1138((4-Chlorophenyl)methyl)oxiraneBRN 1364475Oxirane, 2-((4-chlorophenyl)methyl)-5-17-01-00590 (Beilstein Handbook Reference)RefChem:3673932-[(4-chlorophenyl)methyl]oxirane2-((4-Chlorophenyl)methyl)oxirane2-(4-chlorobenzyl)oxiraneSCHEMBL1499186DTXSID10957819ZPEVFFRSZBVWGB-UHFFFAOYSA-N1-(4-chlorophenyl)-2,3-epoxypropaneAKOS026730897EN300-698550

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1990_06 · 10.6084/m9.figshare.5104873.v1 · US04933357

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uspto-grants-1990_06 · 10.6084/m9.figshare.5104873.v1 · US04933357

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