Keyword(s): Natural Toxins
Molecule Category Free-form
UNII TGB3VXQ7JV
EPA CompTox DTXSID1020196

Structure

InChI Key NMPVEAUIHMEAQP-UHFFFAOYSA-N
Smiles C(C=O)Br
InChI
InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Weight 121.94
AlogP 0.58
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 17157-48-1
NORMAN SUSDAT
FDA SRS TGB3VXQ7JV
PubChem 105131