Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8E89677I6B
EPA CompTox DTXSID5025237

Structure

InChI Key GKIPXFAANLTWBM-UHFFFAOYNA-N
Smiles BrCC1CO1
InChI
InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5Br1O1
Molecular Weight 135.95
AlogP 0.78
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.53
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3132-64-7
NORMAN SUSDAT
FDA SRS 8E89677I6B
ChemSpider 3262.0