Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A9T6SLA83G
EPA CompTox DTXSID1061156

Structure

InChI Key LQQKDSXCDXHLLF-UHFFFAOYSA-N
Smiles BrCC(=O)CBr
InChI
InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Br2O1
Molecular Weight 213.86
AlogP 1.35
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 816-39-7
NORMAN SUSDAT
FDA SRS A9T6SLA83G
PubChem 69952
ChemSpider 63145.0