2-FLUORO-4-NITROTOLUENE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CSP7NA3X52
EPA CompTox DTXSID40162131

Structure

InChI Key WIQISTBTOQNVCE-UHFFFAOYSA-N
Smiles O=[N+]([O-])C1=CC=C(C(F)=C1)C
InChI
InChI=1/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7FNO2
Molecular Weight 155.04
AlogP 2.04
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1427-07-2
NORMAN SUSDAT
FDA SRS CSP7NA3X52
PubChem 74025
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