Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 07K08J16VK
EPA CompTox DTXSID2021496

Structure

InChI Key REXUYBKPWIPONM-UHFFFAOYSA-N
Smiles BrCC#N
InChI
InChI=1S/C2H2BrN/c3-1-2-4/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Br1N1
Molecular Weight 118.94
AlogP 0.9
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 590-17-0
NORMAN SUSDAT
FDA SRS 07K08J16VK
PubChem 11534
ChemSpider 11050.0