Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EG63P9EUR0
EPA CompTox DTXSID7060338

Structure

InChI Key DNPRVXJGNANVCZ-UHFFFAOYSA-N
Smiles [O-][N+](=O)CBr
InChI
InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H2Br1N1O2
Molecular Weight 138.93
AlogP 0.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 563-70-2
NORMAN SUSDAT
FDA SRS EG63P9EUR0
PubChem 68423
ChemSpider 61706.0