HCID6849

1-Nitronaphthalene

C10H7NO2173.17 g/molCAS 27254-36-0

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1cccc2ccccc12
InChIKey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
分子式: C10H7NO2
平均分子量: 173.17 g/mol
单同位素质量: 173.04767847

COMPUTED

结构计算性质

等待补全

XLogP: 3.2
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 200

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 87 条

1-NITRONAPHTHALENE86-57-7Naphthalene, 1-nitro-alpha-NitronaphthaleneNitrol (pesticide)NCI-C01956DTXSID7020978A51NP1DL2TCHEBI:34104NSC-9584DTXCID70978RefChem:907736201-684-5NitrolNaphthalene, nitro-MononitronaphthaleneNITRONAPHTHALENE1-Nitronaftalen.alpha.-Nitronaphthalene27254-36-0

REACTIONS

参与反应

19 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-1993_11 · 10.6084/m9.figshare.5104873.v1 · US05262539

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uspto-grants-1993_11 · 10.6084/m9.figshare.5104873.v1 · US05262539

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767817B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871980B2

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uspto-grants-1988_09 · 10.6084/m9.figshare.5104873.v1 · US04770818

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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