Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MTK5K5PX8N
EPA CompTox DTXSID5061459

Structure

InChI Key IPWBFGUBXWMIPR-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1Br
InChI
InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4BrF
Molecular Weight 173.95
AlogP 2.59
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1072-85-1
NORMAN SUSDAT
FDA SRS MTK5K5PX8N
PubChem 61259