Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5848WZ4MBL
EPA CompTox DTXSID30186366

Structure

InChI Key DVTULTINXNWGJY-UHFFFAOYSA-N
Smiles FC=1C=C(F)C(Br)=CC1F
InChI
InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2BrF3
Molecular Weight 209.93
AlogP 2.87
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 327-52-6
NORMAN SUSDAT
FDA SRS 5848WZ4MBL
PubChem 67597