Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G2USP9ULP6

Structure

InChI Key SLENHFBXWIEZCY-UHFFFAOYSA-N
Smiles O=C(OC=1C(Br)=CC(Br)=CC1Br)C
InChI
InChI=1/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5Br3O2
Molecular Weight 369.78
AlogP 3.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 607-95-4
NORMAN SUSDAT
FDA SRS G2USP9ULP6
PubChem 69094