Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BQU83Q7216
EPA CompTox DTXSID20198751

Structure

InChI Key NJHVMXFNIZTTBV-UHFFFAOYSA-N
Smiles OC(O)C(Br)(Br)Br
InChI
InChI=1S/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3Br3O2
Molecular Weight 295.77
AlogP 1.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 507-42-6
NORMAN SUSDAT
FDA SRS BQU83Q7216
PubChem 68181
ChemSpider 61488.0