TRALOMETHRIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W2Z59VSQ0O
EPA CompTox DTXSID0024343

Structure

InChI Key YWSCPYYRJXKUDB-KAKFPZCNSA-N
Smiles CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
InChI
InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17-,18+,19?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19Br4N1O3
Molecular Weight 660.81
AlogP 7.46
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 59.32
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 66841-25-6
NORMAN SUSDAT
FDA SRS W2Z59VSQ0O
PubChem 48132
ChemSpider 43788.0
CONTENTS