Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20885614

Structure

InChI Key HIUZIZLYVGKTHZ-UHFFFAOYSA-N
Smiles BrC(OCC1OC1)C(Br)C
InChI
InChI=1/C6H10Br2O2/c1-4(7)6(8)10-3-5-2-9-5/h4-6H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Br2O2
Molecular Weight 271.9
AlogP 1.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 21.76
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 35243-89-1
NORMAN SUSDAT
PubChem 61944