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: | 211 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,4,4',5,6-heptaBDE | |
| Labels: | ||
| CAS: | 189084-67-1 | |
| InChi Code: | InChI=1S/C12H3Br7O/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H |
Properties
M10.MP: Melting Point [°C]
| Value | Source or prediction |
|---|---|
| 156.5 |
experimental value |
| 185.2668 |
Tab2.Model_10: BFR melting point (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60583561 | US EPA CompTox Dashboard |