Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WW9JD3YJ9Q
EPA CompTox DTXSID5059953

Structure

InChI Key CZKLEJHVLCMVQR-UHFFFAOYSA-N
Smiles O=C(Cl)C1=CC=C(F)C=C1
InChI
InChI=1/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4ClFO
Molecular Weight 157.99
AlogP 2.2
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 403-43-0
NORMAN SUSDAT
FDA SRS WW9JD3YJ9Q
PubChem 67879