HCID7650848

Methyl 4-(methylamino)-3-nitrobenzoate

C9H10N2O4210.19 g/molCAS 36242-50-9

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IDENTITY

结构与身份

标准SMILES: CNc1ccc(C(=O)OC)cc1[N+](=O)[O-]
InChIKey: RUJMPEWZLDVEAV-UHFFFAOYSA-N
分子式: C9H10N2O4
平均分子量: 210.19 g/mol
单同位素质量: 210.0640568

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 84.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 251

ALIASES

名称与别名

共 29 条

methyl 4-(methylamino)-3-nitrobenzoate36242-50-9DTXSID40428865RefChem:355473DTXCID70379699Methyl 4-(methylamino)-3-nitrobenzenecarboxylateMFCD098624502-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzeneBenzoic acid, 4-(methylamino)-3-nitro-, methyl esterCHEMBL242816methyl 4-(methylamino)-3-nitro-benzoateDabigatran Impurity 87methyl 4-methylamino-3-nitrobenzoateMethyl4-(methylamino)-3-nitrobenzoate4-Methylamino-3-nitro-benzoic acid methyl esterSCHEMBL1726941RUJMPEWZLDVEAV-UHFFFAOYSA-NBDBM50209966SBB094315AKOS005073058

REACTIONS

参与反应

30 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855713B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759535B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759535B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759535B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759535B2

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