Du, Xi-hua published the artcileQuantitative structure-property relationship of halogenated arenes, Related Products of chlorides-buliding-blocks, the publication is Harbin Gongye Daxue Xuebao (2009), 41(9), 241-245, database is CAplus.
With the define of at. characteristic value δi on the mol. topol. theory, the value setting up the group dyeing index mXA and its inverted index mXB, this paper studies relationship between the refractive index and mol. structure of 92 halogenated arenes by using quant. structure-property relationship technol. The reasonable mol. modeling equations were achieved by multiple regression for the prediction of the refractive index of halogenated arenes. The multiple regression equations are established, the correlation coefficient is 0.902 6. The calculated results show that the imputed refractive index of halogenated arenes were in good agreement with the exptl. data, with mean relative deviation being 0.47%. The study showed that application group dyeing index and its inverted index simultaneously can reflect more completely the structure-property relationships of halogenated arenes. The performances of the models were tested through cross-validation by leave-one-out procedure, which shows the estimation stability and prediction of the models based on the group dyeing index are quite contented.
Harbin Gongye Daxue Xuebao published new progress about 116850-28-3. 116850-28-3 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzene, name is 2-Chloro-1-fluoro-3-methylbenzene, and the molecular formula is C7H6ClF, Related Products of chlorides-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics