HCID66881802

Ethyl 3-chloro-8-hydroxynaphthalene-2-carboxylate

C13H11ClO3250.68 g/molCAS 919994-91-5

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cc2c(O)cccc2cc1Cl
InChIKey: LCHIKVQGOGLGPS-UHFFFAOYSA-N
分子式: C13H11ClO3
平均分子量: 250.68 g/mol
单同位素质量: 250.0396719

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 282

ALIASES

名称与别名

共 6 条

ethyl 3-chloro-8-hydroxynaphthalene-2-carboxylate919994-91-5SCHEMBL1028143DTXSID70735953LCHIKVQGOGLGPS-UHFFFAOYSA-N3-chloro-8-hydroxy-naphthalene-2-carboxylic acid ethyl ester

REACTIONS

参与反应

6 条

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781438B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781438B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426440B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426440B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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