Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7DGL334X4W
EPA CompTox DTXSID8024656

Structure

InChI Key WEGOLYBUWCMMMY-UHFFFAOYNA-N
Smiles CC(O)CBr
InChI
InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Br1O1
Molecular Weight 137.97
AlogP 0.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 19686-73-8
NORMAN SUSDAT
FDA SRS 7DGL334X4W
ChemSpider 27636.0