1-(3-Methoxy-4-Nitrophenyl)Ethanone 1-(3-甲氧基-4-硝基苯基)乙酮

CAS 22106-39-4 MFCD00075788

化学结构图

22106-39-4
SMILES: CC(=O)C1C=C(OC)C(=CC=1)[N+]([O-])=O

化学属性

Mol. FormulaC9H9NO4
Mol. Weight195.17
Melting Point71-73°

别名和识别编码

Chemical Name1-(3-Methoxy-4-Nitrophenyl)Ethanone
CAS Number22106-39-4
Alfabeta NameMETHOXYNITROPHENYLETHANONE 1341()------
MDL NumberMFCD00075788
Synonym 3'-methoxy-4'-nitroacetophenone {} {uni_hamburg}
Chemical Name Translation1-(3-甲氧基-4-硝基苯基)乙酮
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; ether; 1fragment
  • {KO} Nitros
  • {KO} Ketones
  • {SNA} Building Blocks, C9, Chemical Synthesis, Ethers, Nitro Compounds, Nitrogen Compounds, Nitroso Compounds, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.

安全信息

Warnings IRRITANT

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
1

系列性分类


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