Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 84YP5V73U3
EPA CompTox DTXSID10207381

Structure

InChI Key PAUFOHFMOYPVBY-UHFFFAOYSA-N
Smiles CC(=C)c1cc(Br)c(Br)cc1Br
InChI
InChI=1S/C9H7Br3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h3-4H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7Br3
Molecular Weight 351.81
AlogP 5.01
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 58683-72-0
NORMAN SUSDAT
FDA SRS 84YP5V73U3
PubChem 93878
ChemSpider 84730.0