Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AK4DQ3EL7A
EPA CompTox DTXSID2060464

Structure

InChI Key MMYKTRPLXXWLBC-UHFFFAOYSA-N
Smiles CCOCCBr
InChI
InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9Br1O1
Molecular Weight 151.98
AlogP 1.42
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 592-55-2
NORMAN SUSDAT
FDA SRS AK4DQ3EL7A
PubChem 61141
ChemSpider 55088.0