Liao, Li-min published the artcileStructural characterization and acute toxicity simulation for nitroaromatic compounds, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Chinese Journal of Structural Chemistry (2016), 35(3), 449-456, database is CAplus.
Three-dimensional holog. vector of at. interaction field (3D-HoVAIF) is used to characterize mol. structures of 45 nitroarom. compounds Two quant. structure-toxicity relationship (QSAR) models are built up by stepwise regression (SMR), multiple linear regression (MLR) and partial least-squares regression (PLS). The correlation coefficients (R) of the models are 0.960 and 0.961, resp. Then the models are evaluated by performing the cross-validation with the leave-one-out (LOO) procedure, and the correlation coefficients (RCV) are 0.949 and 0.941, resp. The results show that the descriptors can successfully describe the structures of organic compounds The stability and predictability of the model are satisfactory.
Chinese Journal of Structural Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Name: 3-Chloro-4-fluoronitrobenzene.
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https://en.wikipedia.org/wiki/Chloride,
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