55345-04-5 (硝基芴,9H-Fluorene, nitro-)

快速询单

结构式：

硝基芴MOL文件

CAS号：

55345-04-5

中文名称：

硝基芴

英文名称：

9H-Fluorene, nitro-

分子式：

C₁₃H₉NO₂

分子量：

211.216063261032

硝基芴(55345-04-5)名称与标识符

名称

中文别名：

硝基芴;

英文别名：

9H-Fluorene, nitro-;NITROFLUORENE;9H-Fluorene, 9-nitro-;51I17870V6;Fluorene, nitro-;CCRIS 1188;14544-96-8;NSC-122115;9-nitrofluorene;SCHEMBL1306347;55345-04-5;DTXSID40932593;9-Nitro-9H-fluorene;Q27260896;Nitro-9H-fluorene;UNII-51I17870V6;NSC 122115;

标识符

InChIKey：

ZLEFBOYSYKCJQC-UHFFFAOYSA-N

Inchi：

1S/C13H9NO2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H

SMILES：

[O-][N+](C1C2C=CC=CC=2C2C=CC=CC1=2)=O

硝基芴(55345-04-5)物化性质

实验特性

PSA : 43.14
折射率 : 1.5880 (estimate)
沸点 : 350.9°C (rough estimate)
闪点 : 197.2°C
密度 : 1.1868 (rough estimate)

计算特性

精确分子量 : 211.06337
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 211.063
重原子数量 : 16
复杂度 : 264
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.1
拓扑分子极性表面积 : 45.8Å²

硝基芴(55345-04-5)相关文献

1. Nitrofluorene-based A–D–A electron acceptors for organic photovoltaics
Yuxuan Che,Muhammad Rizwan Niazi,Ting Yu,Thierry Maris,Cheng-Hao Liu,Dongling Ma,Ricardo Izquierdo,Igor F. Perepichka,Dmytro F. Perepichka J. Mater. Chem. C 2023 11 8186
2. The nitration of 3-methoxyfluoranthene
H. F. Andrew,Neil Campbell,J. T. Craig,K. J. Nichol J. Chem. Soc. C 1968 1761
3. Quantitative analysis of nitro-polycyclic aromatic hydrocarbons in PM2.5 samples with graphene as a matrix by MALDI-TOF MS
Nengxuan Ma,Wei Bian,Ruijin Li,Hong Geng,Jiangang Zhang,Chuan Dong,Shaomin Shuang,Zongwei Cai Anal. Methods 2015 7 3967
4. Excited state dynamics and photochemistry of nitroaromatic compounds
William Rodríguez-Córdoba,Luis Gutiérrez-Arzaluz,Fernando Cortés-Guzmán,Jorge Peon Chem. Commun. 2021 57 12218
5. Magnetic graphene composites as both an adsorbent for sample enrichment and a MALDI-TOF MS matrix for the detection of nitropolycyclic aromatic hydrocarbons in PM2.5
Jiangang Zhang,Li Zhang,Ruijin Li,Di Hu,Nengxuan Ma,Shaomin Shuang,Zongwei Cai,Chuan Dong Analyst 2015 140 1711
6. Theoretical studies on the photochemistry of 2-nitrofluorene in the gas phase and acetonitrile solution
Bo Li,Teng-Shuo Zhang,Jiadan Xue,Bin-Bin Xie,Wei-Hai Fang,Lin Shen Phys. Chem. Chem. Phys. 2020 22 16772
7. Solvent-dependent dual fluorescence of the push–pull system 2-diethylamino-7-nitrofluorene
M. A. B. Larsen,A. B. Stephansen,E. Alarousu,M. Pittelkow,O. F. Mohammed,T. I. S?lling Phys. Chem. Chem. Phys. 2018 20 5942
8. A novel method for source-specific hemoglobin adducts of nitro-polycyclic aromatic hydrocarbons
Kylie Wheelock,Junfeng (Jim) Zhang,Rob McConnell,Deliang Tang,Heather E. Volk,Ya Wang,Julie B. Herbstman,Shuang Wang,David H. Phillips,David Camann,Jicheng Gong,Frederica Perera Environ. Sci.: Processes Impacts 2018 20 780
9. Advances in PAHs/nitro-PAHs fractioning
Auréa Andrade-Eiroa,Valérie Leroy,Philippe Dagaut Anal. Methods 2010 2 2017
10. Some substitution reactions of 1-methyl- and 2-methoxy-fluorene
E. O. Arene,D. A. H. Taylor J. Chem. Soc. C 1966 481

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