7225-75-4 (3,5-dinitrobenzoate,3,5-dinitrobenzoate)

快速询单

结构式：

3,5-dinitrobenzoateMOL文件

CAS号：

7225-75-4

中文名称：

3,5-dinitrobenzoate

英文名称：

3,5-dinitrobenzoate

分子式：

C₇H₃N₂O₆

分子量：

211.108521699905

3,5-dinitrobenzoate(7225-75-4)名称与标识符

名称

中文别名：

3,5-dinitrobenzoate;

英文别名：

3,5-dinitrobenzoate;7225-75-4;SCHEMBL1352337;DTXSID40364335;

标识符

InChIKey：

VYWYYJYRVSBHJQ-UHFFFAOYSA-M

Inchi：

1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)/p-1

SMILES：

[O-][N+](C1C=C(C(=O)[O-])C=C(C=1)[N+](=O)[O-])=O

3,5-dinitrobenzoate(7225-75-4)物化性质

计算特性

精确分子量 : 210.99911082g/mol
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 0
同位素质量 : 210.99911082g/mol
重原子数量 : 15
复杂度 : 265
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） : 2.1
拓扑分子极性表面积 : 132Å²

3,5-dinitrobenzoate(7225-75-4)相关文献

1. Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine
Xue-Hua Ding,Lin-Fang Cui,Yong-Hua Li,Shi Wang,Wei Huang New J. Chem. 2012 36 1884
2. Assembly of composites into a core–shell structure using ultrasonic spray drying and catalytic application in the thermal decomposition of ammonium perchlorate
Wenyuan Zhao,Tonglai Zhang,Naimeng Song,Linong Zhang,Zhenkui Chen,Li Yang,Zunning Zhou RSC Adv. 2016 6 71223
3. Assembly of composites into a core–shell structure using ultrasonic spray drying and catalytic application in the thermal decomposition of ammonium perchlorate
Wenyuan Zhao,Tonglai Zhang,Naimeng Song,Linong Zhang,Zhenkui Chen,Li Yang,Zunning Zhou RSC Adv. 2016 6 71223
4. The stabilities of Meisenheimer complexes. Part 42. Kinetic studies of the reactions of methyl 3,5-dinitrobenzoate and of methyl 4-chloro-3,5-dinitrobenzoate with hydroxide ions in dimethyl sulphoxide–water mixtures. Competitive nucleophilic attack at aryl and carbonyl carbon atoms
Michael R. Crampton,Colin Greenhalgh J. Chem. Soc. Perkin Trans. 2 1986 873
5. Organic–inorganic hybrid cyclic aggregate or 2D network assembled by silver(I) 3,5-dinitrobenzoate with 2-methylimidazole or 2-aminopyrimidine
An-Wu Xu,Cheng-Yong Su,Ze-Fu Zhang,Yue-Peng Cai,Chun-Long Chen New J. Chem. 2001 25 479
6. Growth and characterization of semi-organic third order nonlinear optical (NLO) potassium 3,5-dinitrobenzoate (KDNB) single crystals
P. Karuppasamy,V. Sivasubramani,M. Senthil Pandian,P. Ramasamy RSC Adv. 2016 6 109105
7. An electron spin resonance study of the asymmetric solvation of the m-dinitrobenzene and 3,5-dinitrobenzoate radical anions
W. E. Griffiths,C. J. W. Gutch,G. F. Longster,J. Myatt,P. F. Todd J. Chem. Soc. B 1968 785
8. Yb3+ can be much better than Dy3+: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes
Andrey V. Gavrikov,Nikolay N. Efimov,Andrey B. Ilyukhin,Zhanna V. Dobrokhotova,Vladimir M. Novotortsev Dalton Trans. 2018 47 6199
9. Photochemical transformations. Part 34. Structures of the toxisterols2
Anthony G. M. Barrett,Derek H. R. Barton,Richard A. Russell,David A. Widdowson J. Chem. Soc. Perkin Trans. 1 1977 631
10. Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O′)2]: crystallographic and theoretical analysis
Daniela Fonseca,Andrés F. Pérez-Torres,Justo Cobo,Jhon Zapata-Rivera,John J. Hurtado,Mario A. Macías CrystEngComm 2022 24 2982

7225-75-4 (3,5-dinitrobenzoate,3,5-dinitrobenzoate)

3,5-dinitrobenzoate(7225-75-4)名称与标识符

名称

标识符

3,5-dinitrobenzoate(7225-75-4)物化性质

计算特性

3,5-dinitrobenzoate(7225-75-4)相关文献

目录