HCID7437

2-Chloro-1-(3-nitrophenyl)ethanone

C8H6ClNO3199.59 g/molCAS 99-47-8

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IDENTITY

结构与身份

标准SMILES: O=C(CCl)c1cccc([N+](=O)[O-])c1
InChIKey: LBHUVZXFCGZYDL-UHFFFAOYSA-N
分子式: C8H6ClNO3
平均分子量: 199.59 g/mol
单同位素质量: 199.0036207

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 62.9 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 214

ALIASES

名称与别名

共 17 条

2-chloro-1-(3-nitrophenyl)ethanone99-47-8RefChem:1062718Acetophenone, 2-chloro-m-nitro-2-Chloro-m-nitroacetophenoneUSAF MA-8BRN 1958853alpha-Chloro-m-nitro-acetophenone2-Chloro-1-(3-nitrophenyl)ethan-1-one3-07-00-00996 (Beilstein Handbook Reference)SCHEMBL3910668DTXSID10870438LBHUVZXFCGZYDL-UHFFFAOYSA-Nalpha-chloro-meta -nitroacetophenone.alpha.-Chloro-m-nitro-acetophenone2-CHLORO-3'-NITROACETOPHENONEAKOS002392958

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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06696573B1

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uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06696573B1

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uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06696573B1

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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