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

Structure

InChI Key ZIAHZFPHXNQNQN-UHFFFAOYSA-N
Smiles Fc1cccc(c1)C(Br)Br
InChI
InChI=1S/C7H5Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Br2F1
Molecular Weight 265.87
AlogP 3.61
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 455-34-5
NORMAN SUSDAT