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: | 210 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentabromo-6-(4-bromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,4',5,6-hexaBDE | |
| Labels: | ||
| CAS: | 189084-58-0 | |
| InChi Code: | InChI=1S/C12H4Br6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 184 |
experimental value |
| 162.292 |
Tab2.Model_10: BFR melting point (Training set) |