Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 51YJ9BW8W7
EPA CompTox DTXSID4022028

Structure

InChI Key OACPOWYLLGHGCR-UHFFFAOYSA-N
Smiles O=CC=1C(F)=CC=CC1Cl
InChI
InChI=1/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4ClFO
Molecular Weight 157.99
AlogP 2.29
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 387-45-1
NORMAN SUSDAT
FDA SRS 51YJ9BW8W7
PubChem 67847