HCID528955

2-Isopropyl-6-nitrophenol

2-nitro-6-propan-2-ylphenol

C9H11NO3181.19 g/molCAS 7545-71-3

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IDENTITY

结构与身份

标准SMILES: CC(C)c1cccc([N+](=O)[O-])c1O
InChIKey: RRFSVDKJKYCCEK-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
单同位素质量: 181.07389321

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 66.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 188

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1271

ALIASES

名称与别名

共 18 条

2-isopropyl-6-nitrophenol7545-71-3DTXSID60336074RefChem:262352DTXCID102871632-nitro-6-propan-2-ylphenolPhenol, 2-(1-methylethyl)-6-nitroMFCD000850996-isopropyl-2-nitrophenol2-isopropyl-6-nitro-phenolSCHEMBL1021316-(methylethyl)-2-nitrophenolSCHEMBL106296862-nitro-6-(propan-2-yl)phenolSBB089776DB-074983CS-0331144H61597

REACTIONS

参与反应

5 条

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

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uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · US06921763B2

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uspto-grants-1989_08 · 10.6084/m9.figshare.5104873.v1 · US04859661

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uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07332497B2

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

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