HCID89363

Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate

(4-chlorophenyl)-diethoxyphosphorylmethanol

C11H16ClO4P278.67 g/molCAS 20641-28-5

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IDENTITY

结构与身份

标准SMILES: CCOP(=O)(OCC)C(O)c1ccc(Cl)cc1
InChIKey: RIQJHXWKWXDLFM-UHFFFAOYSA-N
分子式: C11H16ClO4P
平均分子量: 278.67 g/mol
单同位素质量: 278.0474737

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 17
形式电荷: 0
复杂度: 256

ALIASES

名称与别名

共 30 条

20641-28-5DTXSID001216711Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonateDiethyl P-[(4-chlorophenyl)hydroxymethyl]phosphonateRefChem:1083508DTXCID801648039Phosphonic acid, ((4-chlorophenyl)hydroxymethyl)-, diethyl ester(4-chlorophenyl)-diethoxyphosphorylmethanoldiethyl [(4-chlorophenyl)(hydroxy)methyl]phosphonateDiethyl ((4-chlorophenyl)(hydroxy)methyl)phosphonateNSC 404325BRN 1984002AI3-17767alpha-Toluenephosphonic acid, p-chloro-alpha-hydroxy-, diethyl esterp-Chloro-alpha-hydroxy-alpha-toluenephosphonic acid diethyl esterSCHEMBL11140297RIQJHXWKWXDLFM-UHFFFAOYSA-NPhosphonic acid, (p-chloro-alpha-hydroxybenzyl)-, diethyl esterNSC404325STK369667

REACTIONS

参与反应

11 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1983_12 · 10.6084/m9.figshare.5104873.v1 · US04420435

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uspto-grants-1983_12 · 10.6084/m9.figshare.5104873.v1 · US04420435

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uspto-grants-1982_05 · 10.6084/m9.figshare.5104873.v1 · US04330482

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

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uspto-grants-1991_12 · 10.6084/m9.figshare.5104873.v1 · US05073564

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uspto-grants-1991_12 · 10.6084/m9.figshare.5104873.v1 · US05073564

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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