Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7GS7VN6LFA
EPA CompTox DTXSID00185023

Structure

InChI Key VMAATSFMXSMKPG-UHFFFAOYSA-N
Smiles O=[N+]([O-])C1=CC(Cl)=C(F)C(Cl)=C1
InChI
InChI=1/C6H2Cl2FNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl2FNO2
Molecular Weight 208.94
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3107-19-5
NORMAN SUSDAT
FDA SRS 7GS7VN6LFA
PubChem 76554