Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WX6VDG7X4V
EPA CompTox DTXSID0073613

Structure

InChI Key FMNZAHDAULEOSO-UHFFFAOYSA-N
Smiles OCC(Br)(Br)[N+]([O-])=O
InChI
InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3Br2N1O3
Molecular Weight 246.85
AlogP 0.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 69094-18-4
NORMAN SUSDAT
FDA SRS WX6VDG7X4V
PubChem 93395
ChemSpider 84311.0