Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90999590

Structure

InChI Key MADVJOUJBMNYJF-UHFFFAOYSA-N
Smiles O=C(Br)C1=CC=C(F)C(Br)=C1
InChI
InChI=1/C7H3Br2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Br2FO
Molecular Weight 279.85
AlogP 3.12
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 78239-66-4
NORMAN SUSDAT
PubChem 3018761