Structure

InChI Key WHPVYXDFIXRKLN-UHFFFAOYSA-N
Smiles Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H5Br5O1
Molecular Weight 559.63
AlogP 7.29
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 60348-60-9
NORMAN SUSDAT
PubChem 36159
ChemSpider 33255.0