54510-09-7 (氯水杨酸,chlorosalicylic acid)

快速询单

结构式：

氯水杨酸MOL文件

CAS号：

54510-09-7

中文名称：

氯水杨酸

英文名称：

chlorosalicylic acid

分子式：

C₇H₅ClO₃

分子量：

172.565801382065

氯水杨酸(54510-09-7)名称与标识符

名称

中文别名：

氯柳酸;氯水杨酸;

英文别名：

chlorosalicylic acid;2-[(chlorooxy)carbonyl]phenol;2-hydroxybenzoyl chloride;LNGHGZJAEPDKFE-UHFFFAOYSA-N;DTXSID60969720;2-Hydroxybenzoic hypochlorous anhydride;54510-09-7;salicylic acid hypochlorite;SCHEMBL4573748;EINECS 259-192-1;

标识符

InChIKey：

LNGHGZJAEPDKFE-UHFFFAOYSA-N

Inchi：

1S/C7H5ClO3/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4,9H

SMILES：

ClOC(C1C=CC=CC=1O)=O

氯水杨酸(54510-09-7)物化性质

实验特性

PSA : 46.53

计算特性

精确分子量 : 171.99275
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 171.9927217g/mol
重原子数量 : 11
复杂度 : 149
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 : 46.5Å²

氯水杨酸(54510-09-7)相关文献

1. Effects of intramolecular hydrogen bonding on the excited state dynamics of phenol chromophores
Yi Lin Yang,Yu-Chieh Ho,Yuri A. Dyakov,Wen-Hsin Hsu,Chi-Kung Ni,Yi-Lun Sun,Wan-Chen Tsai,Wei-Ping Hu Phys. Chem. Chem. Phys. 2013 15 7182
2. Effects of intramolecular hydrogen bonding on the excited state dynamics of phenol chromophores
Yi Lin Yang,Yu-Chieh Ho,Yuri A. Dyakov,Wen-Hsin Hsu,Chi-Kung Ni,Yi-Lun Sun,Wan-Chen Tsai,Wei-Ping Hu Phys. Chem. Chem. Phys. 2013 15 7182
3. Three Zn(ii)/Cd(ii)/Mn(ii) coordination polymers based on a 2-hydroxy-N-(1H-tetrazol-5-yl) benzamide ligand: structures, and magnetic and photoluminescence properties
Yang Zou,Jing Chen,Yuan-Yuan Li,Li Li,Jian-Lan Liu,Xiao-Ming Ren RSC Adv. 2015 5 78642
4. Excited-state acidity of bifunctional compounds Part 5 5-(2-Hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole and 3-(2-hydroxyphenyl)-5-phenyl-1,2,4-oxadiazole
Carlos Carvalho,Ira Brinn,Wolfram Baumann,Heribert Reis,Zsolt Nagy J. Chem. Soc. Faraday Trans. 1997 93 3325
5. Spirocyclic side-chain derivatives of penicillin and cephalosporin
Peter G. Sammes,Steven Smith,Barry C. Ross J. Chem. Soc. Perkin Trans. 1 1984 2117
6. 42. Eight- and higher-membered ring compounds. Part II. Di-, tri-, tetra-, and hexa-salicylides
Wilson Baker,W. D. Ollis,T. S. Zealley J. Chem. Soc. 1951 201
7. Fast synthesis of amides from ethyl salicylate under microwave radiation in a solvent-free system
Rafaely N. Lima,Valdenizia R. Silva,Luciano de S. Santos,Daniel P. Bezerra,Milena B. P. Soares,André L. M. Porto RSC Adv. 2017 7 56566
8. Organic chemistry
J. Chem. Soc. Abstr. 1923 124 i737
9. 1008. The diphenylmethylation of amides and of salicylic acid and its derivatives: the acid-catalysed rearrangement of N-diphenylmethylsalicylamide
G. W. H. Cheeseman,R. C. Poller J. Chem. Soc. 1962 5277
10. CLX.—Aromatic esters of acylecgonines
William Herbert Gray J. Chem. Soc. Trans. 1925 127 1150