1-(3-BROMOPROPYL)-5-CHLORO-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70979552

Structure

InChI Key ZAXGBHVNESQALC-UHFFFAOYSA-N
Smiles O=C1NC2=CC(Cl)=CC=C2N1CCCBr
InChI
InChI=1/C10H10BrClN2O/c11-4-1-5-14-9-3-2-7(12)6-8(9)13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10BrClN2O
Molecular Weight 287.97
AlogP 3.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.05
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 63388-35-2
NORMAN SUSDAT
PubChem 3017413
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