10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:543
Name:Benzene, 1-methyl-2-nitro-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
378

experimental value

354.28

Eq.1: Model for diverse and pure compounds (Training set)

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