HCID74025

2-Fluoro-4-nitrotoluene

2-fluoro-1-methyl-4-nitrobenzene

C7H6FNO2155.13 g/molCAS 1427-07-2

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IDENTITY

结构与身份

标准SMILES: Cc1ccc([N+](=O)[O-])cc1F
InChIKey: WIQISTBTOQNVCE-UHFFFAOYSA-N
分子式: C7H6FNO2
平均分子量: 155.13 g/mol
单同位素质量: 155.0382566

COMPUTED

结构计算性质

等待补全

XLogP: 2.7
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 157

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 46 条

2-Fluoro-4-nitrotoluene1427-07-22-Fluoro-1-methyl-4-nitrobenzeneEINECS 215-845-2WIQISTBTOQNVCE-UHFFFAOYSA-DTXSID40162131NSC 60724RefChem:472401DTXCID2084622215-845-2InChI=1/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3Benzene, 2-fluoro-1-methyl-4-nitro-Toluene, 2-fluoro-4-nitro-2-fluoro-1-methyl-4-nitro-benzene3-Fluoro-4-methylnitrobenzene1-Methyl-2-fluoro-4-nitrobenzeneMFCD00007199NSC-60724NSC607242-fluoro4-nitrotoluene

REACTIONS

相关反应

44 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05618839

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434695B2

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

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uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04704227

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875728B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875728B2

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648385

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07449456B2

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