PYRIMIDINE, 5-BROMO-4,6-DICHLORO-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6071748

Structure

InChI Key BKLHHTTZTSYHBV-UHFFFAOYSA-N
Smiles Clc1ncnc(Cl)c1Br
InChI
InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H1Br1Cl2N2
Molecular Weight 225.87
AlogP 2.55
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 68797-61-5
NORMAN SUSDAT
PubChem 111605
ChemSpider 100117.0
CONTENTS