Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W2WDI7648E
EPA CompTox DTXSID1021667

Structure

InChI Key YTGSYRVSBPFKMQ-UHFFFAOYSA-N
Smiles BrC(Br)(Br)C=O
InChI
InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H1Br3O1
Molecular Weight 277.76
AlogP 2.02
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 115-17-3
NORMAN SUSDAT
FDA SRS W2WDI7648E
PubChem 8256
ChemSpider 21106514.0