Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4L2X3X1FPT
EPA CompTox DTXSID8059130

Structure

InChI Key KIHQZLPHVZKELA-UHFFFAOYSA-N
Smiles OC(CBr)CBr
InChI
InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Br2O1
Molecular Weight 215.88
AlogP 1.14
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 96-21-9
NORMAN SUSDAT
FDA SRS 4L2X3X1FPT
PubChem 7287
ChemSpider 7015.0