HCID2972846

Methyl 4-(cyclohexylamino)-3-nitrobenzoate

C14H18N2O4278.3 g/molCAS 503859-26-5

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1
InChIKey: RKLPKKOKDXVKFJ-UHFFFAOYSA-N
分子式: C14H18N2O4
平均分子量: 278.3 g/mol
单同位素质量: 278.12665706

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 84.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 350

ALIASES

名称与别名

共 23 条

methyl 4-(cyclohexylamino)-3-nitrobenzoate503859-26-5methyl 4-(cyclohexylamino)-3-nitrobenzenecarboxylateMFCD038554593-NITRO-4-(CYCLOHEXYLAMINO) BENZOIC ACID METHYL ESTERSCHEMBL5065370Benzoic acid,4-(cyclohexylamino)-3-nitro-, methyl esterDTXSID40388036RKLPKKOKDXVKFJ-UHFFFAOYSA-NSTK226847AKOS003355781CC-0711MB03040methyl4-(cyclohexylamino)-3-nitrobenzoateSY454014DB-050044ST4093334CS-0212842methyl 4-(cyclohexylamino)-3-nitro-benzoateSR-01000293826

REACTIONS

参与反应

5 条

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

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06803374B2

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uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06803374B2

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304085B2

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

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