Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CD6P4XJ7FQ
EPA CompTox DTXSID3064229

Structure

InChI Key YUQUNWNSQDULTI-UHFFFAOYSA-N
Smiles Sc1c(Br)cccc1
InChI
InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Br1S1
Molecular Weight 187.93
AlogP 2.74
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6320-02-1
NORMAN SUSDAT
FDA SRS CD6P4XJ7FQ
PubChem 80598
ChemSpider 72789.0