HCID22262109

Benzyl 4-(pyridin-3-yloxy)benzoate

benzyl 4-pyridin-3-yloxybenzoate

C19H15NO3305.3 g/molCAS 444919-34-0

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IDENTITY

结构与身份

标准SMILES: O=C(OCc1ccccc1)c1ccc(Oc2cccnc2)cc1
InChIKey: QNJAEBNVWMTWLN-UHFFFAOYSA-N
分子式: C19H15NO3
平均分子量: 305.3 g/mol
单同位素质量: 305.10519334

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 48.4 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 23
形式电荷: 0
复杂度: 360

ALIASES

名称与别名

共 8 条

benzyl 4-(pyridin-3-yloxy)benzoateSCHEMBL5752788QNJAEBNVWMTWLN-UHFFFAOYSA-NDTXSID501280096AKOS008852439Benzyl 4-[(pyridin-3-yl)oxy]benzoatePhenylmethyl 4-(3-pyridinyloxy)benzoate444919-34-0

REACTIONS

相关反应

4 条

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-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06982348B2

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uspto-grants-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06982348B2

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