Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P3WUO03X17
EPA CompTox DTXSID8059340

Structure

InChI Key FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Smiles Sc1ccc(Br)cc1
InChI
InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/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 106-53-6
NORMAN SUSDAT
FDA SRS P3WUO03X17
PubChem 66049
ChemSpider 59439.0