4426-68-0 ((Benzene, isoselenocyanato-)

快速询单

结构式：

Benzene, isoselenocyanato-MOL文件

CAS号：

4426-68-0

英文名称：

Benzene, isoselenocyanato-

分子式：

C₇H₅NSe

分子量：

182.081300497055

Benzene, isoselenocyanato-(4426-68-0)名称与标识符

名称

英文别名：

Benzene, isoselenocyanato-;Isoselenocyanatobenzene;4426-68-0;Isoselenocyanatobenzene #;Phenyl selenoisocyanate;SCHEMBL10740395;Phenyl isoselenocyanate;Isoselenocyanic acid, phenyl ester;phenylisoselenocyanate;

标识符

InChIKey：

VMPYPALZFODHOQ-UHFFFAOYSA-N

Inchi：

1S/C7H5NSe/c9-6-8-7-4-2-1-3-5-7/h1-5H

SMILES：

[Se]=C=NC1C=CC=CC=1

Benzene, isoselenocyanato-(4426-68-0)物化性质

计算特性

精确分子量 : 182.95872g/mol
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 182.95872g/mol
重原子数量 : 9
复杂度 : 121
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
拓扑分子极性表面积 : 12.4Å²

Benzene, isoselenocyanato-(4426-68-0)相关文献

1. A computational study to unravel the selectivity in an iron-catalysed [3 + 2] cycloaddition of aziridine and heterocumulenes
Debashis Adhikari RSC Adv. 2015 5 95379
2. Copper-catalyzed domino synthesis of benzo[d]imidazo[5,1-b][1,3]selenazoles involving sequential intermolecular cycloaddition and intramolecular Ullmann-type C–Se bond formation
Kelu Yan,Min Liu,Jiangwei Wen,Weihua Liu,Xue Li,Xiao Liu,Xinlei Sui,Wenda Shang,Xiu Wang Org. Chem. Front. 2021 8 5139
3. New selenosteroids as antiproliferative agents
Alma Fuentes-Aguilar,Laura L. Romero-Hernández,Ailed Arenas-González,Penélope Merino-Montiel,Sara Montiel-Smith,Socorro Meza-Reyes,José Luis Vega-Báez,Gabriela B. Plata,José M. Padrón,óscar López,José G. Fernández-Bola?os Org. Biomol. Chem. 2017 15 5041
4. Electrooxidation-induced selective cleavage of C–N bonds of tertiary amines to access thioureas, selenoureas, and 2-aminated benzoselenazoles
Ting Zeng,Jianjing Yang,Kelu Yan,Shibo Wang,Shuyun Zhu,Xian-En Zhao,Dandan Li,Jiangwei Wen Org. Chem. Front. 2022 9 6305
5. Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O
Mani Sengoden,Tharmalingam Punniyamurthy RSC Adv. 2012 2 2736
6. Selenoureas for anion binding as molecular logic gates
Arianna Casula,Paloma Begines,Alexandre Bettoschi,Josè G. Fernandez-Bola?os,Francesco Isaia,Vito Lippolis,óscar López,Giacomo Picci,M. Andrea Scorciapino,Claudia Caltagirone Chem. Commun. 2017 53 11869
7. A new class of silica-supported chromo-fluorogenic chemosensors for anion recognition based on a selenourea scaffold
Arianna Casula,Antoni Llopis-Lorente,Alessandra Garau,Francesco Isaia,Maciej Kubicki,Vito Lippolis,Félix Sancenón,Ramón Martínez-Má?ez,Agata Owczarzak,Claudio Santi,M. Andrea Scorciapino,Claudia Caltagirone Chem. Commun. 2017 53 3729
8. Chirality sensing of tertiary alcohols by a novel strong hydrogen-bonding donor – selenourea
Guangling Bian,Shiwei Yang,Huayin Huang,Hua Zong,Ling Song,Hongjun Fan,Xiaoqiang Sun Chem. Sci. 2016 7 932

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4426-68-0 ((Benzene, isoselenocyanato-)

Benzene, isoselenocyanato-(4426-68-0)名称与标识符

名称

标识符

Benzene, isoselenocyanato-(4426-68-0)物化性质

计算特性

Benzene, isoselenocyanato-(4426-68-0)相关文献

目录