HCID59362000

Benzyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate

benzyl 4-methoxy-2-nitro-5-phenylmethoxybenzoate

C22H19NO6393.4 g/molCAS 634198-01-9

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IDENTITY

结构与身份

标准SMILES: COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1OCc1ccccc1
InChIKey: PIGMVSQKERHIGF-UHFFFAOYSA-N
分子式: C22H19NO6
平均分子量: 393.4 g/mol
单同位素质量: 393.12123733

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 90.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 8
重原子: 29
形式电荷: 0
复杂度: 524

ALIASES

名称与别名

共 8 条

Benzyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate634198-01-9Benzyl5-(benzyloxy)-4-methoxy-2-nitrobenzoateSCHEMBL874114SCHEMBL29729282DTXSID70731637PIGMVSQKERHIGF-UHFFFAOYSA-NDB-342469

REACTIONS

参与反应

8 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440961B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440961B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08916576B2

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08916576B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357693B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357693B2

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

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