10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:205
Name:1,3-dibromo-2-(2,4-dibromophenoxy)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',4,6'-tetraBDE
Labels:
CAS:
InChi Code:InChI=1S/C12H6Br4O/c13-7-4-5-11(10(16)6-7)17-12-8(14)2-1-3-9(12)15/h1-6H

Properties

M10.MP: Melting Point [°C]

ValueSource or prediction
96.5

experimental value

105.508

Tab2.Model_10: BFR melting point (Training set)

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