Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40918074

Structure

InChI Key MMFGGDVQLQQQRX-UHFFFAOYSA-N
Smiles O=CC1=CC(Br)=CC=C1F
InChI
InChI=1/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4BrFO
Molecular Weight 201.94
AlogP 2.4
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 93777-26-5
NORMAN SUSDAT
PubChem 736327