HCID211166

Benzenamine, 3-(4-nitrophenoxy)-

3-(4-nitrophenoxy)aniline

C12H10N2O3230.22 g/molCAS 22528-34-3

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IDENTITY

结构与身份

标准SMILES: Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIKey: XTMXKDRGJKFRQL-UHFFFAOYSA-N
分子式: C12H10N2O3
平均分子量: 230.22 g/mol
单同位素质量: 230.06914219

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 81.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 259

ALIASES

名称与别名

共 31 条

Benzenamine, 3-(4-nitrophenoxy)-m-(p-Nitrophenoxy)aniline3-(4-Nitrophenoxy)benzenamineAniline, m-(p-nitrophenoxy)-BRN 2125825DTXSID801770424-13-00-00955 (Beilstein Handbook Reference)RefChem:322813DTXCID90995333-(4-nitrophenoxy)aniline22528-34-33-Amino-4'-nitrodiphenyl ether3-(4-nitrophenyloxy)anilineOprea1_338807Oprea1_783543MLS0007179483-(4-nitrophenoxy)phenylamineSCHEMBL2194321CHEMBL15041763-amino-4' -nitrodiphenyl ether

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08324395B2

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08324395B2

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08324395B2

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

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