Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TLU63289ZZ
EPA CompTox DTXSID90196724

Structure

InChI Key JHLKSIOJYMGSMB-UHFFFAOYSA-N
Smiles Fc1cc(F)cc(Br)c1
InChI
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Br1F2
Molecular Weight 191.94
AlogP 2.73
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 461-96-1
NORMAN SUSDAT
FDA SRS TLU63289ZZ
PubChem 136313
ChemSpider 120087.0